Name: Name:Benzoic acid, 3-[[[(tetrahydro-2-furanyl)methyl]amino]sulfonyl]-
Brand: Angene
SKU: AG00IAOP
Rating: 90 (10 reviews)

Benzoic acid, 3-[[[(tetrahydro-2-furanyl)methyl]amino]sulfonyl]-

CAS No.:

603118-19-0

Catalog Number:

AG00IAOP

Molecular Formula:

C12H15NO5S

Molecular Weight:

285.3162

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Product Description

Catalog Number:

AG00IAOP

Chemical Name:

Benzoic acid, 3-[[[(tetrahydro-2-furanyl)methyl]amino]sulfonyl]-

CAS Number:

603118-19-0

Molecular Formula:

C12H15NO5S

Molecular Weight:

285.3162

MDL Number:

MFCD03751358

IUPAC Name:

3-(oxolan-2-ylmethylsulfamoyl)benzoic acid

InChI:

InChI=1S/C12H15NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1,3,5,7,10,13H,2,4,6,8H2,(H,14,15)

InChI Key:

SFOGRWODCWJHPB-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)S(=O)(=O)NCC1CCCO1

Properties

Complexity:

416

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.314g/mol

Monoisotopic Mass:

285.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties