4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

C15H16FN3O3S2 — CID 72924061

IUPAC4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCCC2c2nccs2)c1
InChIInChI=1S/C15H16FN3O3S2/c16-12-5-4-10(24(17,21)22)9-11(12)15(20)19-7-2-1-3-13(19)14-18-6-8-23-14/h4-6,8-9,13H,1-3,7H2,(H2,17,21,22)
InChIKeySQFIBZMVJZWFGU-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.30
Rot. Bonds3

About 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 72924061) has the molecular formula C15H16FN3O3S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID72924061
Molecular FormulaC15H16FN3O3S2
Molecular Weight369.44 g/mol
Exact Mass369.06
IUPAC Name4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCCC2c2nccs2)c1
InChIInChI=1S/C15H16FN3O3S2/c16-12-5-4-10(24(17,21)22)9-11(12)15(20)19-7-2-1-3-13(19)14-18-6-8-23-14/h4-6,8-9,13H,1-3,7H2,(H2,17,21,22)
InChIKeySQFIBZMVJZWFGU-UHFFFAOYSA-N
XLogP2.30
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(2R)-N-(2,6-difluorophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97445838
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 131904764
(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95770186
9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 126452521
9-hydroxy-3-[(2R)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 126452520
5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 29181945
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 25456831
[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119069341
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119873463
3-[(4R)-4-aminoazepane-1-carbonyl]-4-fluorobenzenesulfonamide
CID 95716407
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 72924061) is 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCCC2c2nccs2)c1.
What is the InChIKey of 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is SQFIBZMVJZWFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S2/c16-12-5-4-10(24(17,21)22)9-11(12)15(20)19-7-2-1-3-13(19)14-18-6-8-23-14/h4-6,8-9,13H,1-3,7H2,(H2,17,21,22).
What are the key properties of 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 369.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 72924061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).