(2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid

C14H12ClNO4S — CID 737241

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)/t13-/m0/s1
InChIKeyRCGHLRLGTZRRKK-ZDUSSCGKSA-N
MW325.77 g/mol
LogP2.44
Rot. Bonds5

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid

(2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 737241) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID737241
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)/t13-/m0/s1
InChIKeyRCGHLRLGTZRRKK-ZDUSSCGKSA-N
XLogP2.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Daltroban
CID 54343
((4-Fluorobenzene-1-sulfonyl)amino)(phenyl)acetic acid
CID 500045
2-{[(4-Methylphenyl)sulfonyl]amino}-2-phenylacetic acid
CID 494565
Alanine, N-benzenesulfonyl-3-phenyl-, DL-
CID 38421
3-[3-Benzyl-5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 44305299
3-[3-[2-[(4-Chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 10546960
Phenyl[(phenylsulfonyl)amino]acetic acid
CID 280707
(2R)-2-{[4-(4-chlorophenyl)benzene]sulfonamido}-3-phenylpropanoic acid
CID 25263183
(S)-2-(4-methylphenylsulfonamido)-2-phenylacetic acid
CID 362840
1-{[(4-Chlorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid
CID 875007
2-{[(4-Chlorophenyl)sulfonyl]amino}-3-phenylpropanoic acid
CID 2765042
3-(4-Chlorophenyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanoic acid
CID 2766962

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid (CID 737241) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid is O=C(O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is RCGHLRLGTZRRKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 325.77 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 737241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).