N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide

C15H22ClNO2S — CID 102638725

IUPACN-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide
SMILESCN(C1CCCCC1Cl)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H22ClNO2S/c1-17(15-10-6-5-9-14(15)16)20(18,19)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyJKZJJNXYHFFKOP-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.04
Rot. Bonds5

About N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide

N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide (PubChem CID 102638725) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide
PubChem CID102638725
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide
SMILESCN(C1CCCCC1Cl)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H22ClNO2S/c1-17(15-10-6-5-9-14(15)16)20(18,19)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyJKZJJNXYHFFKOP-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide (CID 102638725) is N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide is CN(C1CCCCC1Cl)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide?
The InChIKey is JKZJJNXYHFFKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-17(15-10-6-5-9-14(15)16)20(18,19)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide?
N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide has a molecular weight of 315.87 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide is sourced from PubChem (CID 102638725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).