Name: Name:3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid
Brand: Angene
SKU: AG00I6C5
Rating: 90 (10 reviews)

3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid

CAS No.:

329932-88-9

Catalog Number:

AG00I6C5

Molecular Formula:

C17H18N2O4S

Molecular Weight:

346.4008

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00I6C5

Chemical Name:

3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid

CAS Number:

329932-88-9

Molecular Formula:

C17H18N2O4S

Molecular Weight:

346.4008

MDL Number:

MFCD01197461

IUPAC Name:

3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid

InChI:

InChI=1S/C17H18N2O4S/c20-17(21)14-5-4-8-16(13-14)24(22,23)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,20,21)

InChI Key:

XPDAYARHVAIRCS-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1

Properties

Complexity:

531

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.401g/mol

Monoisotopic Mass:

346.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101