2-[(2-chlorophenyl)sulfonylamino]butanedioic acid

C10H10ClNO6S — CID 71628754

IUPAC2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H10ClNO6S/c11-6-3-1-2-4-8(6)19(17,18)12-7(10(15)16)5-9(13)14/h1-4,7,12H,5H2,(H,13,14)(H,15,16)
InChIKeyRJIMIINRZARYRV-UHFFFAOYSA-N
MW307.71 g/mol
LogP0.55
Rot. Bonds6

About 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid

2-[(2-chlorophenyl)sulfonylamino]butanedioic acid (PubChem CID 71628754) has the molecular formula C10H10ClNO6S and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
PubChem CID71628754
Molecular FormulaC10H10ClNO6S
Molecular Weight307.71 g/mol
Exact Mass306.99
IUPAC Name2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H10ClNO6S/c11-6-3-1-2-4-8(6)19(17,18)12-7(10(15)16)5-9(13)14/h1-4,7,12H,5H2,(H,13,14)(H,15,16)
InChIKeyRJIMIINRZARYRV-UHFFFAOYSA-N
XLogP0.55
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-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

Related Compounds

(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
2-[(2-fluorophenyl)sulfonylamino]butanedioic acid
CID 71628755
(2S)-2-[(2-nitrophenyl)sulfonylamino]butanedioic acid
CID 53474586
(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid
CID 112733165
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 64583138
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid?
The IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid (CID 71628754) is 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid is O=C(O)CC(NS(=O)(=O)c1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid?
The InChIKey is RJIMIINRZARYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO6S/c11-6-3-1-2-4-8(6)19(17,18)12-7(10(15)16)5-9(13)14/h1-4,7,12H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid?
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid has a molecular weight of 307.71 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonylamino]butanedioic acid is sourced from PubChem (CID 71628754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).