1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide

C11H16ClNO2S — CID 17257571

IUPAC1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-9(2)7-13-16(14,15)8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyQIYKMUCLWWAYFN-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.42
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide (PubChem CID 17257571) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
PubChem CID17257571
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-9(2)7-13-16(14,15)8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyQIYKMUCLWWAYFN-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
CID 112503749
1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
CID 3647642
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
1-(2-chlorophenyl)-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]methanesulfonamide
CID 121180260
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 92646385
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
CID 95968877
1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide (CID 17257571) is 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide is CC(C)CNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is QIYKMUCLWWAYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-9(2)7-13-16(14,15)8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 17257571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).