(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid

C10H8Cl3NO6S — CID 112733165

IUPAC(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H8Cl3NO6S/c11-4-1-5(12)9(6(13)2-4)21(19,20)14-7(10(17)18)3-8(15)16/h1-2,7,14H,3H2,(H,15,16)(H,17,18)/t7-/m0/s1
InChIKeyDLTPNQSAEVQARL-ZETCQYMHSA-N
MW376.60 g/mol
LogP1.85
Rot. Bonds6

About (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid

(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid (PubChem CID 112733165) has the molecular formula C10H8Cl3NO6S and a molecular weight of 376.60 g/mol. Its IUPAC name is (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid
PubChem CID112733165
Molecular FormulaC10H8Cl3NO6S
Molecular Weight376.60 g/mol
Exact Mass374.91
IUPAC Name(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H8Cl3NO6S/c11-4-1-5(12)9(6(13)2-4)21(19,20)14-7(10(17)18)3-8(15)16/h1-2,7,14H,3H2,(H,15,16)(H,17,18)/t7-/m0/s1
InChIKeyDLTPNQSAEVQARL-ZETCQYMHSA-N
XLogP1.85
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2,4,6-trichlorophenyl)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

Related Compounds

(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 104935094
4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 61244228
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
2-[(2,4,6-trichlorophenyl)sulfonylamino]hexanoic acid
CID 43470072
3-phenyl-3-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 23002624
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069288
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
(2R)-2-[(2,3,5-trichlorophenyl)methylamino]butanedioic acid
CID 167971023
2-[(4-aminophenyl)sulfonylamino]butanedioic acid
CID 71945726
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid?
The IUPAC name of (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid (CID 112733165) is (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid.
What is the SMILES notation for (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid?
The canonical SMILES for (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid is O=C(O)C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid?
The InChIKey is DLTPNQSAEVQARL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H8Cl3NO6S/c11-4-1-5(12)9(6(13)2-4)21(19,20)14-7(10(17)18)3-8(15)16/h1-2,7,14H,3H2,(H,15,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid?
(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid has a molecular weight of 376.60 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid is sourced from PubChem (CID 112733165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).