4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide

C20H21F3N2O3S — CID 133291317

IUPAC4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C(=O)C2CCN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H21F3N2O3S/c1-13-2-4-14(5-3-13)19(26)15-8-10-25(11-9-15)18-7-6-16(29(24,27)28)12-17(18)20(21,22)23/h2-7,12,15H,8-11H2,1H3,(H2,24,27,28)
InChIKeyLPFCQJXGPRXPGK-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.76
Rot. Bonds4

About 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide

4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 133291317) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID133291317
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C(=O)C2CCN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H21F3N2O3S/c1-13-2-4-14(5-3-13)19(26)15-8-10-25(11-9-15)18-7-6-16(29(24,27)28)12-17(18)20(21,22)23/h2-7,12,15H,8-11H2,1H3,(H2,24,27,28)
InChIKeyLPFCQJXGPRXPGK-UHFFFAOYSA-N
XLogP3.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133290641
2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 133355915
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 133322846
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
[1-(4-bromo-2-nitrophenyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 55854855
4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133349622
N,N-dimethyl-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55978794
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
3-[(4-methylphenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 46292342
1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide
CID 82900064

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 133291317) is 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(C(=O)C2CCN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LPFCQJXGPRXPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-13-2-4-14(5-3-13)19(26)15-8-10-25(11-9-15)18-7-6-16(29(24,27)28)12-17(18)20(21,22)23/h2-7,12,15H,8-11H2,1H3,(H2,24,27,28).
What are the key properties of 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 426.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133291317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).