(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid

C15H13ClN2O5S — CID 71458070

IUPAC(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
SMILESNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O5S/c16-11-7-6-10(8-12(11)24(17,22)23)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)(H2,17,22,23)/t13-/m0/s1
InChIKeyUVKVPVNVXARBKK-ZDUSSCGKSA-N
MW368.80 g/mol
LogP1.54
Rot. Bonds5

About (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid (PubChem CID 71458070) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
PubChem CID71458070
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Name(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
SMILESNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O5S/c16-11-7-6-10(8-12(11)24(17,22)23)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)(H2,17,22,23)/t13-/m0/s1
InChIKeyUVKVPVNVXARBKK-ZDUSSCGKSA-N
XLogP1.54
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
CID 78841975
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
4-chloro-N-(2,2-dimethyl-1-phenylpropyl)-3-methylsulfonylbenzamide
CID 55643084
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65381406
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid (CID 71458070) is (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid is NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl.
What is the InChIKey of (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid?
The InChIKey is UVKVPVNVXARBKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c16-11-7-6-10(8-12(11)24(17,22)23)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)(H2,17,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid has a molecular weight of 368.80 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 71458070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).