N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide

C23H20N2O2S — CID 11954463

IUPACN-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C#N)(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-19-12-14-22(15-13-19)28(26,27)25-23(18-24,21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-17,25H,1H3/b17-16+
InChIKeyINFVQFKTDQEVKP-WUKNDPDISA-N
MW388.49 g/mol
LogP4.41
Rot. Bonds6

About N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide

N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 11954463) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID11954463
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C#N)(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-19-12-14-22(15-13-19)28(26,27)25-23(18-24,21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-17,25H,1H3/b17-16+
InChIKeyINFVQFKTDQEVKP-WUKNDPDISA-N
XLogP4.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-1-phenylbutyl)-4-methylbenzenesulfonamide
CID 135070539
methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate
CID 101398756
N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 102294027
4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide
CID 8500656
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
N-[1-(3-chlorophenyl)-1-cyanoethyl]-4-methylbenzenesulfonamide
CID 135070084
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906
[cyano-(4-methylphenyl)sulfonyloxy-phenylmethyl] 4-methylbenzenesulfonate
CID 87354246
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
CID 102294028

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide (CID 11954463) is N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C#N)(/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is INFVQFKTDQEVKP-WUKNDPDISA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-19-12-14-22(15-13-19)28(26,27)25-23(18-24,21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-17,25H,1H3/b17-16+.
What are the key properties of N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide?
N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11954463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).