2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid

C12H16ClNO4S — CID 43084241

IUPAC2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H16ClNO4S/c1-3-8(2)11(12(15)16)14-19(17,18)10-6-4-5-9(13)7-10/h4-8,11,14H,3H2,1-2H3,(H,15,16)
InChIKeyMKIYFNFFDWSRGI-UHFFFAOYSA-N
MW305.78 g/mol
LogP2.12
Rot. Bonds6

About 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid

2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid (PubChem CID 43084241) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
PubChem CID43084241
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H16ClNO4S/c1-3-8(2)11(12(15)16)14-19(17,18)10-6-4-5-9(13)7-10/h4-8,11,14H,3H2,1-2H3,(H,15,16)
InChIKeyMKIYFNFFDWSRGI-UHFFFAOYSA-N
XLogP2.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic 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,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
CID 5120365
benzyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573393
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
3-chloro-N-[(4S,5S)-3-ethyl-3-hydroxy-5-methylheptan-4-yl]benzenesulfonamide
CID 68547034
(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 120666169
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173476
(2S,3S)-2-[[3-(2-ethoxy-2-oxoethyl)phenyl]sulfonylamino]-3-methylpentanoic acid
CID 120968725
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481
(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 122178462

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid (CID 43084241) is 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid is CCC(C)C(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid?
The InChIKey is MKIYFNFFDWSRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-3-8(2)11(12(15)16)14-19(17,18)10-6-4-5-9(13)7-10/h4-8,11,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid?
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid has a molecular weight of 305.78 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid is sourced from PubChem (CID 43084241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).