(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide

C12H16ClNO3S — CID 150685288

IUPAC(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-8(2)7-11(12(14)15)18(16,17)10-5-3-9(13)4-6-10/h3-6,8,11H,7H2,1-2H3,(H2,14,15)/t11-/m1/s1
InChIKeyJISOPIISXLZSPJ-LLVKDONJSA-N
MW289.78 g/mol
LogP2.01
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide

(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide (PubChem CID 150685288) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide
PubChem CID150685288
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-8(2)7-11(12(14)15)18(16,17)10-5-3-9(13)4-6-10/h3-6,8,11H,7H2,1-2H3,(H2,14,15)/t11-/m1/s1
InChIKeyJISOPIISXLZSPJ-LLVKDONJSA-N
XLogP2.01
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfonylbutanamide
CID 64717963
methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoate
CID 2765031
methyl (2S)-2-(4-chlorophenyl)sulfonyl-3-phenylpropanoate
CID 1363556
2-(4-chlorophenyl)sulfonyl-3-methylbutanoic acid
CID 15130541
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
6-(4-chlorophenyl)sulfonylhept-3-en-2-one
CID 57312268
methyl (2S)-2-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenyl)propanoate
CID 6977133
2-amino-2-(4-chlorophenyl)sulfonylethanol
CID 117037336
(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 86765168
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide
CID 58245604
(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 67195389
(2R)-2-[(4-acetamidophenyl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 10238477

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide (CID 150685288) is (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide is CC(C)C[C@H](C(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide?
The InChIKey is JISOPIISXLZSPJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-8(2)7-11(12(14)15)18(16,17)10-5-3-9(13)4-6-10/h3-6,8,11H,7H2,1-2H3,(H2,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide?
(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide has a molecular weight of 289.78 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide is sourced from PubChem (CID 150685288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).