1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C21H23F3N2O4S — CID 26289048

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1
InChIInChI=1S/C21H23F3N2O4S/c1-14-3-8-19(15(2)13-14)31(28,29)26-11-9-16(10-12-26)20(27)25-17-4-6-18(7-5-17)30-21(22,23)24/h3-8,13,16H,9-12H2,1-2H3,(H,25,27)
InChIKeyQBJLQYOBCXNXPN-UHFFFAOYSA-N
MW456.49 g/mol
LogP4.24
Rot. Bonds5

About 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 26289048) has the molecular formula C21H23F3N2O4S and a molecular weight of 456.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID26289048
Molecular FormulaC21H23F3N2O4S
Molecular Weight456.49 g/mol
Exact Mass456.13
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1
InChIInChI=1S/C21H23F3N2O4S/c1-14-3-8-19(15(2)13-14)31(28,29)26-11-9-16(10-12-26)20(27)25-17-4-6-18(7-5-17)30-21(22,23)24/h3-8,13,16H,9-12H2,1-2H3,(H,25,27)
InChIKeyQBJLQYOBCXNXPN-UHFFFAOYSA-N
XLogP4.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Tosylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780576
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-(3-((4-ethoxyphenyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585954
1-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16031528
1-(2,4-dimethylbenzenesulfonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17391208
N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26908240
1-[4-(Trifluoromethoxy)phenyl]-3-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 90654049
N~1~-(4-ethoxyphenyl)-N~2~-(mesitylsulfonyl)glycinamide
CID 1302836
[4-(4-Methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1327887
3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2097220
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2434074
N-(4-methoxyphenyl)-1-tosylpyrrolidine-2-carboxamide
CID 2937052

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 26289048) is 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is QBJLQYOBCXNXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4S/c1-14-3-8-19(15(2)13-14)31(28,29)26-11-9-16(10-12-26)20(27)25-17-4-6-18(7-5-17)30-21(22,23)24/h3-8,13,16H,9-12H2,1-2H3,(H,25,27).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 26289048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).