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

C15H21ClN2O3S — CID 803952

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-18(11-15(19)17-13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyFWFMRPRGROEKTQ-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.41
Rot. Bonds5

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

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide (PubChem CID 803952) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
PubChem CID803952
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-18(11-15(19)17-13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyFWFMRPRGROEKTQ-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide (CID 803952) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide is CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The InChIKey is FWFMRPRGROEKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-18(11-15(19)17-13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide has a molecular weight of 344.86 g/mol, XLogP of 2.41, 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-cyclohexylacetamide is sourced from PubChem (CID 803952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).