N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide

C13H16ClNO3S — CID 126521615

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C13H16ClNO3S/c1-19(17,18)15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyLOOWORMCHGARLA-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.23
Rot. Bonds3

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide (PubChem CID 126521615) has the molecular formula C13H16ClNO3S and a molecular weight of 301.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide
PubChem CID126521615
Molecular FormulaC13H16ClNO3S
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C13H16ClNO3S/c1-19(17,18)15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyLOOWORMCHGARLA-UHFFFAOYSA-N
XLogP2.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide (CID 126521615) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide is CS(=O)(=O)NC1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide?
The InChIKey is LOOWORMCHGARLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-19(17,18)15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide has a molecular weight of 301.79 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide is sourced from PubChem (CID 126521615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).