4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C12H17FN2O2S — CID 79043193

IUPAC4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2S/c1-9-12(3-2-8-14-9)15-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,2-3,8H2,1H3
InChIKeyPTTFPOXLDAUDQX-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.24
Rot. Bonds3

About 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide

4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 79043193) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID79043193
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2S/c1-9-12(3-2-8-14-9)15-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,2-3,8H2,1H3
InChIKeyPTTFPOXLDAUDQX-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
N,N-dimethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]benzamide
CID 120726525
4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726766
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-fluoro-N-(2-methylpiperidin-3-yl)-3-nitrobenzenesulfonamide
CID 114695261
3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726470

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 79043193) is 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide is CC1NCCCC1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is PTTFPOXLDAUDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-12(3-2-8-14-9)15-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,2-3,8H2,1H3.
What are the key properties of 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 79043193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).