N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide

C21H20N2O2S — CID 11717547

IUPACN-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide
SMILESC[C@H](/C=C(\NS(=O)(=O)c1ccccn1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-17(18-10-4-2-5-11-18)16-20(19-12-6-3-7-13-19)23-26(24,25)21-14-8-9-15-22-21/h2-17,23H,1H3/b20-16-/t17-/m1/s1
InChIKeyVYQYKBVURCFJIU-XUMLYMLNSA-N
MW364.47 g/mol
LogP4.20
Rot. Bonds6

About N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide

N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide (PubChem CID 11717547) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide
PubChem CID11717547
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide
SMILESC[C@H](/C=C(\NS(=O)(=O)c1ccccn1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-17(18-10-4-2-5-11-18)16-20(19-12-6-3-7-13-19)23-26(24,25)21-14-8-9-15-22-21/h2-17,23H,1H3/b20-16-/t17-/m1/s1
InChIKeyVYQYKBVURCFJIU-XUMLYMLNSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide?
The IUPAC name of N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide (CID 11717547) is N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide is C[C@H](/C=C(\NS(=O)(=O)c1ccccn1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide?
The InChIKey is VYQYKBVURCFJIU-XUMLYMLNSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-17(18-10-4-2-5-11-18)16-20(19-12-6-3-7-13-19)23-26(24,25)21-14-8-9-15-22-21/h2-17,23H,1H3/b20-16-/t17-/m1/s1.
What are the key properties of N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide?
N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3R)-1,3-diphenylbut-1-enyl]pyridine-2-sulfonamide is sourced from PubChem (CID 11717547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).