1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C20H21F3N2O4S — CID 1005457

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H21F3N2O4S/c1-29-17-6-8-18(9-7-17)30(27,28)25-12-10-14(11-13-25)19(26)24-16-4-2-15(3-5-16)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyOAPPLDJARFZYSN-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 1005457) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID1005457
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H21F3N2O4S/c1-29-17-6-8-18(9-7-17)30(27,28)25-12-10-14(11-13-25)19(26)24-16-4-2-15(3-5-16)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyOAPPLDJARFZYSN-UHFFFAOYSA-N
XLogP3.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 1005457) is 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is OAPPLDJARFZYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c1-29-17-6-8-18(9-7-17)30(27,28)25-12-10-14(11-13-25)19(26)24-16-4-2-15(3-5-16)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 1005457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).