(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid

C12H15Cl2NO4S — CID 103927101

IUPAC(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C12H15Cl2NO4S/c1-12(2,3)10(11(16)17)15-20(18,19)9-7(13)5-4-6-8(9)14/h4-6,10,15H,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyOLMDYDWYWRGTQR-JTQLQIEISA-N
MW340.23 g/mol
LogP2.77
Rot. Bonds4

About (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid

(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid (PubChem CID 103927101) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
PubChem CID103927101
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Name(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C12H15Cl2NO4S/c1-12(2,3)10(11(16)17)15-20(18,19)9-7(13)5-4-6-8(9)14/h4-6,10,15H,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyOLMDYDWYWRGTQR-JTQLQIEISA-N
XLogP2.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

2-[(3-chloro-2-fluorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468111
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
(2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61142213
(2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 106605293
3,3-dimethyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 43468075
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 6922951
(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 120782373
2-[(4-iodophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468127
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61141889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid (CID 103927101) is (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid?
The InChIKey is OLMDYDWYWRGTQR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-12(2,3)10(11(16)17)15-20(18,19)9-7(13)5-4-6-8(9)14/h4-6,10,15H,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid has a molecular weight of 340.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).