2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide

C11H13F3N2O2S — CID 54881709

IUPAC2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H13F3N2O2S/c12-7-5-9(13)11(10(14)6-7)19(17,18)16-8-1-3-15-4-2-8/h5-6,8,15-16H,1-4H2
InChIKeyBVECINROHPZTRG-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.13
Rot. Bonds3

About 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide

2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 54881709) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID54881709
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H13F3N2O2S/c12-7-5-9(13)11(10(14)6-7)19(17,18)16-8-1-3-15-4-2-8/h5-6,8,15-16H,1-4H2
InChIKeyBVECINROHPZTRG-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966989
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79117967
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
2-bromo-N-(1,1-dioxothian-4-yl)-4,6-difluorobenzenesulfonamide
CID 60824231
2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 119960637
2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826074
3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411
2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 103976987

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide (CID 54881709) is 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(NC1CCNCC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is BVECINROHPZTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-7-5-9(13)11(10(14)6-7)19(17,18)16-8-1-3-15-4-2-8/h5-6,8,15-16H,1-4H2.
What are the key properties of 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide?
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 294.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 54881709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).