3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide

C14H17F3N2O3S — CID 18105575

IUPAC3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)10-18-13(20)11-5-4-6-12(9-11)23(21,22)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10H2,(H,18,20)
InChIKeyHJKYNSOFKRPKBY-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.15
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide

3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 18105575) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID18105575
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)10-18-13(20)11-5-4-6-12(9-11)23(21,22)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10H2,(H,18,20)
InChIKeyHJKYNSOFKRPKBY-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105522
2,2-dimethyl-3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119250284
N-(2-amino-2-ethylbutyl)-3-(azepan-1-ylsulfonyl)benzamide
CID 119640716
3-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052335
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
3-(3-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119982284
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide (CID 18105575) is 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HJKYNSOFKRPKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c15-14(16,17)10-18-13(20)11-5-4-6-12(9-11)23(21,22)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10H2,(H,18,20).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 350.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 18105575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).