(2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid

C10H11ClN2O6S — CID 134155673

IUPAC(2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid
SMILESN[C@H](C(=O)O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClN2O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1
InChIKeyPHSLITQWZPTNLO-JAMMHHFISA-N
MW322.73 g/mol
LogP-0.52
Rot. Bonds6

About (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid

(2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid (PubChem CID 134155673) has the molecular formula C10H11ClN2O6S and a molecular weight of 322.73 g/mol. Its IUPAC name is (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid
PubChem CID134155673
Molecular FormulaC10H11ClN2O6S
Molecular Weight322.73 g/mol
Exact Mass322.00
IUPAC Name(2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid
SMILESN[C@H](C(=O)O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClN2O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1
InChIKeyPHSLITQWZPTNLO-JAMMHHFISA-N
XLogP-0.52
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.73
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid?
The IUPAC name of (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid (CID 134155673) is (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid.
What is the SMILES notation for (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid?
The canonical SMILES for (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid is N[C@H](C(=O)O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid?
The InChIKey is PHSLITQWZPTNLO-JAMMHHFISA-N. The full InChI is InChI=1S/C10H11ClN2O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid?
(2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid has a molecular weight of 322.73 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid is sourced from PubChem (CID 134155673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).