Name: Name:3-(((4-Chlorophenyl)sulfonyl)methyl)-N-hydroxybenzimidamide
Brand: Angene
SKU: AG003IRH
Rating: 90 (10 reviews)

3-(((4-Chlorophenyl)sulfonyl)methyl)-N-hydroxybenzimidamide

CAS No.:

583059-52-3

Catalog Number:

AG003IRH

Molecular Formula:

C14H13ClN2O3S

Molecular Weight:

324.7826

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG003IRH

Chemical Name:

3-(((4-Chlorophenyl)sulfonyl)methyl)-N-hydroxybenzimidamide

CAS Number:

583059-52-3

Molecular Formula:

C14H13ClN2O3S

Molecular Weight:

324.7826

MDL Number:

MFCD08060949

IUPAC Name:

3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide

InChI:

InChI=1S/C14H13ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)

InChI Key:

JEBLYWBMDYPQRL-UHFFFAOYSA-N

SMILES:

ONC(=N)c1cccc(c1)CS(=O)(=O)c1ccc(cc1)Cl

Properties

Complexity:

467

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

324.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

324.779g/mol

Monoisotopic Mass:

324.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach.	Journal of medicinal chemistry 20040812
Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors.	Journal of medicinal chemistry 20030703