N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide

C23H23NO2S — CID 11696524

IUPACN-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C/C=C\c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-19-15-17-22(18-16-19)27(25,26)24-23(21-12-6-3-7-13-21)14-8-11-20-9-4-2-5-10-20/h2-13,15-18,23-24H,14H2,1H3/b11-8-/t23-/m1/s1
InChIKeyLWKFJWHBOFAIEZ-JXOZOUPFSA-N
MW377.51 g/mol
LogP5.12
Rot. Bonds7

About N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide

N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide (PubChem CID 11696524) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
PubChem CID11696524
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C/C=C\c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-19-15-17-22(18-16-19)27(25,26)24-23(21-12-6-3-7-13-21)14-8-11-20-9-4-2-5-10-20/h2-13,15-18,23-24H,14H2,1H3/b11-8-/t23-/m1/s1
InChIKeyLWKFJWHBOFAIEZ-JXOZOUPFSA-N
XLogP5.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
CID 102380276
N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide
CID 10968664
N-methyl-1,4-diphenylbut-3-en-1-amine
CID 54080999
N-[(E)-5-(4-chlorophenyl)-3-oxo-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 101494243
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
CID 102233869
4-methyl-N-[1-(3-methylphenyl)but-3-enyl]benzenesulfonamide
CID 139241352

Frequently Asked Questions

What is the IUPAC name of N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide (CID 11696524) is N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C/C=C\c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide?
The InChIKey is LWKFJWHBOFAIEZ-JXOZOUPFSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-19-15-17-22(18-16-19)27(25,26)24-23(21-12-6-3-7-13-21)14-8-11-20-9-4-2-5-10-20/h2-13,15-18,23-24H,14H2,1H3/b11-8-/t23-/m1/s1.
What are the key properties of N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide?
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11696524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).