N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide

C21H19FN2O2S — CID 11717892

IUPACN-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide
SMILESC[C@H](/C=C(\NS(=O)(=O)c1ccccn1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2S/c1-16(17-10-12-19(22)13-11-17)15-20(18-7-3-2-4-8-18)24-27(25,26)21-9-5-6-14-23-21/h2-16,24H,1H3/b20-15-/t16-/m1/s1
InChIKeyVNAIMRBYKQBMAE-RUAUKMDKSA-N
MW382.46 g/mol
LogP4.34
Rot. Bonds6

About N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide

N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide (PubChem CID 11717892) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide
PubChem CID11717892
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide
SMILESC[C@H](/C=C(\NS(=O)(=O)c1ccccn1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2S/c1-16(17-10-12-19(22)13-11-17)15-20(18-7-3-2-4-8-18)24-27(25,26)21-9-5-6-14-23-21/h2-16,24H,1H3/b20-15-/t16-/m1/s1
InChIKeyVNAIMRBYKQBMAE-RUAUKMDKSA-N
XLogP4.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide?
The IUPAC name of N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide (CID 11717892) is N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide is C[C@H](/C=C(\NS(=O)(=O)c1ccccn1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide?
The InChIKey is VNAIMRBYKQBMAE-RUAUKMDKSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-16(17-10-12-19(22)13-11-17)15-20(18-7-3-2-4-8-18)24-27(25,26)21-9-5-6-14-23-21/h2-16,24H,1H3/b20-15-/t16-/m1/s1.
What are the key properties of N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide?
N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide has a molecular weight of 382.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3R)-3-(4-fluorophenyl)-1-phenylbut-1-enyl]pyridine-2-sulfonamide is sourced from PubChem (CID 11717892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).