(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid

C11H13Cl2NO4S — CID 61137287

IUPAC(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-6(2)10(11(15)16)14-19(17,18)8-5-3-4-7(12)9(8)13/h3-6,10,14H,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyUJGBIPHRBXOEGF-JTQLQIEISA-N
MW326.20 g/mol
LogP2.38
Rot. Bonds5

About (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid

(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 61137287) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID61137287
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-6(2)10(11(15)16)14-19(17,18)8-5-3-4-7(12)9(8)13/h3-6,10,14H,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyUJGBIPHRBXOEGF-JTQLQIEISA-N
XLogP2.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2,3-dichlorophenyl)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

(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010898
(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 120782373
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113318363
(2S)-2-(1,3-benzodioxol-4-ylsulfonylamino)-3-methylbutanoic acid
CID 120782366
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
CID 54991248
(2R)-2-(isoquinolin-5-ylsulfonylamino)-3-methylbutanoic acid
CID 79009316
(2S)-2-[(2-chloro-4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid
CID 28542226
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid (CID 61137287) is (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid is CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is UJGBIPHRBXOEGF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-6(2)10(11(15)16)14-19(17,18)8-5-3-4-7(12)9(8)13/h3-6,10,14H,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid?
(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 61137287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).