1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide

C15H24ClNO2S — CID 3647642

IUPAC1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClNO2S/c1-12(2)7-6-8-13(3)17-20(18,19)11-14-9-4-5-10-15(14)16/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3
InChIKeyGECDEOHNYRVFCI-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.97
Rot. Bonds8

About 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide

1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide (PubChem CID 3647642) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
PubChem CID3647642
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClNO2S/c1-12(2)7-6-8-13(3)17-20(18,19)11-14-9-4-5-10-15(14)16/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3
InChIKeyGECDEOHNYRVFCI-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
CID 43579028
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-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 92646385
2-[(2-chlorophenyl)methylsulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110601240
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide (CID 3647642) is 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide is CC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide?
The InChIKey is GECDEOHNYRVFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-12(2)7-6-8-13(3)17-20(18,19)11-14-9-4-5-10-15(14)16/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide has a molecular weight of 317.88 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide is sourced from PubChem (CID 3647642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).