N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

C13H18N2O5S — CID 4553

IUPACN-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChIKeyKTDZCOWXCWUPEO-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.68
Rot. Bonds5

About N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide (PubChem CID 4553) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
PubChem CID4553
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChIKeyKTDZCOWXCWUPEO-UHFFFAOYSA-N
XLogP2.68
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide (CID 4553) is N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The InChIKey is KTDZCOWXCWUPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3.
What are the key properties of N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 4553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).