3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide

C19H19F3N2O3S — CID 2329024

IUPAC3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)16-9-2-3-10-17(16)23-18(25)14-7-6-8-15(13-14)28(26,27)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12H2,(H,23,25)
InChIKeyWJWLIKHAYQKEBW-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.13
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide

3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 2329024) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID2329024
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)16-9-2-3-10-17(16)23-18(25)14-7-6-8-15(13-14)28(26,27)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12H2,(H,23,25)
InChIKeyWJWLIKHAYQKEBW-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
4-methyl-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 50946761
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26181040
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide (CID 2329024) is 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WJWLIKHAYQKEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-9-2-3-10-17(16)23-18(25)14-7-6-8-15(13-14)28(26,27)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12H2,(H,23,25).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide?
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 412.43 g/mol, XLogP of 4.13, 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-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2329024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).