(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid

C12H16ClNO4S — CID 79010898

IUPAC(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H16ClNO4S/c1-7(2)11(12(15)16)14-19(17,18)10-6-4-5-9(13)8(10)3/h4-7,11,14H,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyQRZCGJUHHOVWIW-LLVKDONJSA-N
MW305.78 g/mol
LogP2.04
Rot. Bonds5

About (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 79010898) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID79010898
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H16ClNO4S/c1-7(2)11(12(15)16)14-19(17,18)10-6-4-5-9(13)8(10)3/h4-7,11,14H,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyQRZCGJUHHOVWIW-LLVKDONJSA-N
XLogP2.04
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic 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)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361690
(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 120782373
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906681
(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
2-[(2-ethoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067850

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid (CID 79010898) is (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid is Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is QRZCGJUHHOVWIW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-7(2)11(12(15)16)14-19(17,18)10-6-4-5-9(13)8(10)3/h4-7,11,14H,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 305.78 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79010898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).