N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide

C20H20N2O2S — CID 15406898

IUPACN-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide
SMILESN#CNS(=O)(=O)c1ccccc1-c1ccc(C=C2CCCCC2)cc1
InChIInChI=1S/C20H20N2O2S/c21-15-22-25(23,24)20-9-5-4-8-19(20)18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h4-5,8-14,22H,1-3,6-7H2
InChIKeyYFDPPWYZMLXQLG-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.46
Rot. Bonds4

About N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide

N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide (PubChem CID 15406898) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide
PubChem CID15406898
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide
SMILESN#CNS(=O)(=O)c1ccccc1-c1ccc(C=C2CCCCC2)cc1
InChIInChI=1S/C20H20N2O2S/c21-15-22-25(23,24)20-9-5-4-8-19(20)18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h4-5,8-14,22H,1-3,6-7H2
InChIKeyYFDPPWYZMLXQLG-UHFFFAOYSA-N
XLogP4.46
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide (CID 15406898) is N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide is N#CNS(=O)(=O)c1ccccc1-c1ccc(C=C2CCCCC2)cc1.
What is the InChIKey of N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide?
The InChIKey is YFDPPWYZMLXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c21-15-22-25(23,24)20-9-5-4-8-19(20)18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h4-5,8-14,22H,1-3,6-7H2.
What are the key properties of N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide?
N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 15406898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).