3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide

C12H17FN2O4S2 — CID 47958214

IUPAC3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C12H17FN2O4S2/c1-20(16,17)15-7-3-5-11(9-15)14-21(18,19)12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3
InChIKeyHNXGYUBPXLTPKY-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.53
Rot. Bonds4

About 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide

3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide (PubChem CID 47958214) has the molecular formula C12H17FN2O4S2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
PubChem CID47958214
Molecular FormulaC12H17FN2O4S2
Molecular Weight336.41 g/mol
Exact Mass336.06
IUPAC Name3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C12H17FN2O4S2/c1-20(16,17)15-7-3-5-11(9-15)14-21(18,19)12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3
InChIKeyHNXGYUBPXLTPKY-UHFFFAOYSA-N
XLogP0.53
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 47958232
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
CID 119921741
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
2,4,5-trifluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 136573940
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
CID 138997785
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide
CID 133294753

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide (CID 47958214) is 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide is CS(=O)(=O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is HNXGYUBPXLTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S2/c1-20(16,17)15-7-3-5-11(9-15)14-21(18,19)12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3.
What are the key properties of 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide?
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 47958214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).