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

C20H21F3N2O4S — CID 38829121

IUPAC3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H21F3N2O4S/c21-20(22,23)14-29-17-8-5-7-16(13-17)24-19(26)15-6-4-9-18(12-15)30(27,28)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11,14H2,(H,24,26)
InChIKeySJLJMSSHHRRMEZ-UHFFFAOYSA-N
MW442.46 g/mol
LogP4.05
Rot. Bonds6

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

3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 38829121) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID38829121
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC Name3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H21F3N2O4S/c21-20(22,23)14-29-17-8-5-7-16(13-17)24-19(26)15-6-4-9-18(12-15)30(27,28)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11,14H2,(H,24,26)
InChIKeySJLJMSSHHRRMEZ-UHFFFAOYSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
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3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
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3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
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3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292
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CID 2682841
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 38829121) is 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide is O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is SJLJMSSHHRRMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c21-20(22,23)14-29-17-8-5-7-16(13-17)24-19(26)15-6-4-9-18(12-15)30(27,28)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11,14H2,(H,24,26).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide?
3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 442.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 38829121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).