3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C15H16F3N5O3S — CID 43021038

IUPAC3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H16F3N5O3S/c16-15(17,18)13-20-14(22-21-13)19-12(24)10-5-4-6-11(9-10)27(25,26)23-7-2-1-3-8-23/h4-6,9H,1-3,7-8H2,(H2,19,20,21,22,24)
InChIKeyYCFIWHOIHVDIHS-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.25
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 43021038) has the molecular formula C15H16F3N5O3S and a molecular weight of 403.39 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID43021038
Molecular FormulaC15H16F3N5O3S
Molecular Weight403.39 g/mol
Exact Mass403.09
IUPAC Name3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H16F3N5O3S/c16-15(17,18)13-20-14(22-21-13)19-12(24)10-5-4-6-11(9-10)27(25,26)23-7-2-1-3-8-23/h4-6,9H,1-3,7-8H2,(H2,19,20,21,22,24)
InChIKeyYCFIWHOIHVDIHS-UHFFFAOYSA-N
XLogP2.25
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 134052502
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2445635
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838796
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 38829121
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 43021038) is 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is YCFIWHOIHVDIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3S/c16-15(17,18)13-20-14(22-21-13)19-12(24)10-5-4-6-11(9-10)27(25,26)23-7-2-1-3-8-23/h4-6,9H,1-3,7-8H2,(H2,19,20,21,22,24).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 403.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 43021038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).