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

C21H24N2O2S — CID 15406904

IUPACN-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide
SMILESN#CNS(=O)(=O)c1ccccc1-c1ccc(CCC2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c22-16-23-26(24,25)21-9-5-4-8-20(21)19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h4-5,8-9,12-15,17,23H,1-3,6-7,10-11H2
InChIKeyRTLNTOAFGLLXPT-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.63
Rot. Bonds6

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

N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide (PubChem CID 15406904) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide
PubChem CID15406904
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide
SMILESN#CNS(=O)(=O)c1ccccc1-c1ccc(CCC2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c22-16-23-26(24,25)21-9-5-4-8-20(21)19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h4-5,8-9,12-15,17,23H,1-3,6-7,10-11H2
InChIKeyRTLNTOAFGLLXPT-UHFFFAOYSA-N
XLogP4.63
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.63
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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Related Compounds

N-cyano-2-(4-ethylphenyl)benzenesulfonamide
CID 18719905
N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide
CID 15406898
2-phenylethylcyclooctane
CID 54073487
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
N-benzyl-N-[[4-[2-(cyanosulfamoyl)phenyl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 22620013
N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide
CID 142837148
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide
CID 159676905
5-[4-(2-cyclohexylethyl)phenyl]-2-methoxybenzonitrile
CID 173349929
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide (CID 15406904) is N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide is N#CNS(=O)(=O)c1ccccc1-c1ccc(CCC2CCCCC2)cc1.
What is the InChIKey of N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide?
The InChIKey is RTLNTOAFGLLXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c22-16-23-26(24,25)21-9-5-4-8-20(21)19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h4-5,8-9,12-15,17,23H,1-3,6-7,10-11H2.
What are the key properties of N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide?
N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 15406904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).