1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide

C12H18ClNO2S — CID 17257591

IUPAC1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
SMILESCCCC(C)NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-3-6-10(2)14-17(15,16)9-11-7-4-5-8-12(11)13/h4-5,7-8,10,14H,3,6,9H2,1-2H3
InChIKeyINJUMVIDLJGMRS-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide

1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide (PubChem CID 17257591) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
PubChem CID17257591
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
SMILESCCCC(C)NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-3-6-10(2)14-17(15,16)9-11-7-4-5-8-12(11)13/h4-5,7-8,10,14H,3,6,9H2,1-2H3
InChIKeyINJUMVIDLJGMRS-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
CID 3647642
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
CID 95968877
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
CID 43579028
1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 92646385
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
2-[(2-chlorophenyl)methylsulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110601240
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide (CID 17257591) is 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide is CCCC(C)NS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide?
The InChIKey is INJUMVIDLJGMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-3-6-10(2)14-17(15,16)9-11-7-4-5-8-12(11)13/h4-5,7-8,10,14H,3,6,9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide?
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide has a molecular weight of 275.80 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide is sourced from PubChem (CID 17257591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).