2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide

C15H16FN3O2S — CID 75371178

IUPAC2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1N1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C15H16FN3O2S/c16-13-4-1-3-11(9-13)12-6-8-19(10-12)15-14(22(17,20)21)5-2-7-18-15/h1-5,7,9,12H,6,8,10H2,(H2,17,20,21)
InChIKeyGAZIIZWNCLZHMJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.86
Rot. Bonds3

About 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide

2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide (PubChem CID 75371178) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
PubChem CID75371178
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1N1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C15H16FN3O2S/c16-13-4-1-3-11(9-13)12-6-8-19(10-12)15-14(22(17,20)21)5-2-7-18-15/h1-5,7,9,12H,6,8,10H2,(H2,17,20,21)
InChIKeyGAZIIZWNCLZHMJ-UHFFFAOYSA-N
XLogP1.86
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide (CID 75371178) is 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1N1CCC(c2cccc(F)c2)C1.
What is the InChIKey of 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is GAZIIZWNCLZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-13-4-1-3-11(9-13)12-6-8-19(10-12)15-14(22(17,20)21)5-2-7-18-15/h1-5,7,9,12H,6,8,10H2,(H2,17,20,21).
What are the key properties of 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 321.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)pyrrolidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 75371178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).