2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide

C17H25ClN2O3S — CID 2238601

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3S/c1-24(22,23)20(12-14-8-10-15(18)11-9-14)13-17(21)19-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21)
InChIKeySSWLFQGNSQQVDR-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.94
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide (PubChem CID 2238601) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide
PubChem CID2238601
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3S/c1-24(22,23)20(12-14-8-10-15(18)11-9-14)13-17(21)19-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21)
InChIKeySSWLFQGNSQQVDR-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide (CID 2238601) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide is CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide?
The InChIKey is SSWLFQGNSQQVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-24(22,23)20(12-14-8-10-15(18)11-9-14)13-17(21)19-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide has a molecular weight of 372.92 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 2238601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).