4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

C20H20F4N2O3S — CID 55794746

IUPAC4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H20F4N2O3S/c21-16-10-9-15(13-17(16)30(28,29)26-11-5-2-6-12-26)19(27)25-18(20(22,23)24)14-7-3-1-4-8-14/h1,3-4,7-10,13,18H,2,5-6,11-12H2,(H,25,27)
InChIKeyIWPKISOGANARDK-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.03
Rot. Bonds5

About 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (PubChem CID 55794746) has the molecular formula C20H20F4N2O3S and a molecular weight of 444.45 g/mol. Its IUPAC name is 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
PubChem CID55794746
Molecular FormulaC20H20F4N2O3S
Molecular Weight444.45 g/mol
Exact Mass444.11
IUPAC Name4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H20F4N2O3S/c21-16-10-9-15(13-17(16)30(28,29)26-11-5-2-6-12-26)19(27)25-18(20(22,23)24)14-7-3-1-4-8-14/h1,3-4,7-10,13,18H,2,5-6,11-12H2,(H,25,27)
InChIKeyIWPKISOGANARDK-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794713
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936
4-fluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26618996
N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55690040
4-fluoro-N'-(2-phenylacetyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 26863667
methyl (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbutanoate
CID 55942900
1-(2-fluorophenyl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794457
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 16548347

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The IUPAC name of 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (CID 55794746) is 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The canonical SMILES for 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is O=C(NC(c1ccccc1)C(F)(F)F)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The InChIKey is IWPKISOGANARDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O3S/c21-16-10-9-15(13-17(16)30(28,29)26-11-5-2-6-12-26)19(27)25-18(20(22,23)24)14-7-3-1-4-8-14/h1,3-4,7-10,13,18H,2,5-6,11-12H2,(H,25,27).
What are the key properties of 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide has a molecular weight of 444.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is sourced from PubChem (CID 55794746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).