N-cyclohexyl-N-methylbenzenesulfonamide

C13H19NO2S — CID 668788

IUPACN-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyQLQSOZHLFULCFT-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.64
Rot. Bonds3

About N-cyclohexyl-N-methylbenzenesulfonamide

N-cyclohexyl-N-methylbenzenesulfonamide (PubChem CID 668788) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclohexyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methylbenzenesulfonamide
PubChem CID668788
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyQLQSOZHLFULCFT-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-methylbenzenesulfonamide (CID 668788) is N-cyclohexyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-cyclohexyl-N-methylbenzenesulfonamide?
The InChIKey is QLQSOZHLFULCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3.
What are the key properties of N-cyclohexyl-N-methylbenzenesulfonamide?
N-cyclohexyl-N-methylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 668788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).