4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide

C12H15FN2O3S — CID 60875632

IUPAC4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C12H15FN2O3S/c13-9-4-5-11(19(14,17)18)10(8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,14,17,18)
InChIKeyGZDIZOYVTFDRDW-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.10
Rot. Bonds2

About 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide

4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 60875632) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID60875632
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C12H15FN2O3S/c13-9-4-5-11(19(14,17)18)10(8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,14,17,18)
InChIKeyGZDIZOYVTFDRDW-UHFFFAOYSA-N
XLogP1.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 60876776
4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60876018
4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 106316195
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide
CID 62090446
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
2-(azetidine-1-carbonyl)-5-fluorobenzamide
CID 70098132

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide (CID 60875632) is 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(F)cc1C(=O)N1CCCCC1.
What is the InChIKey of 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is GZDIZOYVTFDRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-9-4-5-11(19(14,17)18)10(8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,14,17,18).
What are the key properties of 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide?
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 286.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60875632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).