N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide

C13H18N2O4S — CID 142190537

IUPACN-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(N=O)c1OC1CCCCC1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)15-12-9-5-8-11(14-16)13(12)19-10-6-3-2-4-7-10/h5,8-10,15H,2-4,6-7H2,1H3
InChIKeyCHCXCILLXCTRJF-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.17
Rot. Bonds5

About N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide

N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide (PubChem CID 142190537) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide
PubChem CID142190537
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(N=O)c1OC1CCCCC1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)15-12-9-5-8-11(14-16)13(12)19-10-6-3-2-4-7-10/h5,8-10,15H,2-4,6-7H2,1H3
InChIKeyCHCXCILLXCTRJF-UHFFFAOYSA-N
XLogP3.17
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide?
The IUPAC name of N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide (CID 142190537) is N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide is CS(=O)(=O)Nc1cccc(N=O)c1OC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide?
The InChIKey is CHCXCILLXCTRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(17,18)15-12-9-5-8-11(14-16)13(12)19-10-6-3-2-4-7-10/h5,8-10,15H,2-4,6-7H2,1H3.
What are the key properties of N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide?
N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide is sourced from PubChem (CID 142190537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).