4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide

C15H17FN4O2S — CID 73355562

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN4O2S/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-18-11-15(14)23(17,21)22/h1-6,11H,7-10H2,(H2,17,21,22)
InChIKeyQVROIEXRBSTOIG-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.19
Rot. Bonds3

About 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide

4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 73355562) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID73355562
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN4O2S/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-18-11-15(14)23(17,21)22/h1-6,11H,7-10H2,(H2,17,21,22)
InChIKeyQVROIEXRBSTOIG-UHFFFAOYSA-N
XLogP1.19
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 73355562) is 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is QVROIEXRBSTOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-18-11-15(14)23(17,21)22/h1-6,11H,7-10H2,(H2,17,21,22).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 336.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 73355562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).