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

C16H23ClN2O3S — CID 2229371

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(11-13-7-9-14(17)10-8-13)12-16(20)18-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyLRRAEZRWCGHHSG-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.55
Rot. Bonds6

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

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide (PubChem CID 2229371) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide
PubChem CID2229371
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(11-13-7-9-14(17)10-8-13)12-16(20)18-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyLRRAEZRWCGHHSG-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.55
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-cyclohexylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide (CID 2229371) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide is CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide?
The InChIKey is LRRAEZRWCGHHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-23(21,22)19(11-13-7-9-14(17)10-8-13)12-16(20)18-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclohexylacetamide has a molecular weight of 358.89 g/mol, XLogP of 2.55, 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-cyclohexylacetamide is sourced from PubChem (CID 2229371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).