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

C10H9Cl2NO6S — CID 154863455

IUPAC(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H9Cl2NO6S/c11-5-1-2-8(6(12)3-5)20(18,19)13-7(10(16)17)4-9(14)15/h1-3,7,13H,4H2,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeyPXCYSGUHJUNKIO-ZETCQYMHSA-N
MW342.16 g/mol
LogP1.20
Rot. Bonds6

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

(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid (PubChem CID 154863455) has the molecular formula C10H9Cl2NO6S and a molecular weight of 342.16 g/mol. Its IUPAC name is (2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
PubChem CID154863455
Molecular FormulaC10H9Cl2NO6S
Molecular Weight342.16 g/mol
Exact Mass340.95
IUPAC Name(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H9Cl2NO6S/c11-5-1-2-8(6(12)3-5)20(18,19)13-7(10(16)17)4-9(14)15/h1-3,7,13H,4H2,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeyPXCYSGUHJUNKIO-ZETCQYMHSA-N
XLogP1.20
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid
CID 112733165
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
2-[(2-fluorophenyl)sulfonylamino]butanedioic acid
CID 71628755
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide
CID 59868380
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid?
The IUPAC name of (2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid (CID 154863455) is (2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid.
What is the SMILES notation for (2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid?
The canonical SMILES for (2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid is O=C(O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid?
The InChIKey is PXCYSGUHJUNKIO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9Cl2NO6S/c11-5-1-2-8(6(12)3-5)20(18,19)13-7(10(16)17)4-9(14)15/h1-3,7,13H,4H2,(H,14,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid?
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid has a molecular weight of 342.16 g/mol, XLogP of 1.20, 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-dichlorophenyl)sulfonylamino]butanedioic acid is sourced from PubChem (CID 154863455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).