2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide

C16H23ClN2O3S — CID 26516511

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-19(23(21,22)15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyMXKKYWRBXPAKNL-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.80
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide (PubChem CID 26516511) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
PubChem CID26516511
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-19(23(21,22)15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyMXKKYWRBXPAKNL-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
CID 98775845
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119589855
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide (CID 26516511) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide is CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide?
The InChIKey is MXKKYWRBXPAKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-19(23(21,22)15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide has a molecular weight of 358.89 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 26516511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).