(s)-(4-Nitro-benzenesulfonylamino)-phenyl-acetic acid

HCID 362697
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Basic information

Standard SMILES
O=C(O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIKey
VMUUBYKWPNNGRO-ZDUSSCGKSA-N
Molecular formula
C14H12N2O6S
Average molar mass
336.32 g/mol
Monoisotopic mass
336.04160728

Names & identifiers

Preferred name
(s)-(4-Nitro-benzenesulfonylamino)-phenyl-acetic acid
IUPAC
(2S)-2-[(4-nitrophenyl)sulfonylamino]-2-phenylacetic acid

Names & synonyms

CHEMBL1907773NSC626936SCHEMBL1491472VMUUBYKWPNNGRO-ZDUSSCGKSA-NBDBM50367837NSC-626936NCI60_008528(s)-(4-nitro-benzenesulfonylamino)-phenyl-acetic acid

Database identifiers

PubChem CID
362697
ChEMBL
CHEMBL1907773

Properties

Computed structural properties

XLogP
2
Topological polar surface area
138 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
23

Related reactions

6 records
New reaction record

Compound notes

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