N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide

C23H23NO2S — CID 11291861

IUPACN-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide
SMILESCC/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C23H23NO2S/c1-3-22(18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)20-14-16-21(17-15-20)24-27(2,25)26/h4-17,24H,3H2,1-2H3/b23-22-
InChIKeyGPAKLHBYXNOZRQ-FCQUAONHSA-N
MW377.51 g/mol
LogP5.43
Rot. Bonds6

About N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide

N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide (PubChem CID 11291861) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide
PubChem CID11291861
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide
SMILESCC/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C23H23NO2S/c1-3-22(18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)20-14-16-21(17-15-20)24-27(2,25)26/h4-17,24H,3H2,1-2H3/b23-22-
InChIKeyGPAKLHBYXNOZRQ-FCQUAONHSA-N
XLogP5.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide (CID 11291861) is N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide is CC/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide?
The InChIKey is GPAKLHBYXNOZRQ-FCQUAONHSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-3-22(18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)20-14-16-21(17-15-20)24-27(2,25)26/h4-17,24H,3H2,1-2H3/b23-22-.
What are the key properties of N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide?
N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11291861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).