N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C21H20F6N2O4S — CID 43872831

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C21H20F6N2O4S/c1-33-17-4-6-18(7-5-17)34(31,32)29-8-2-3-13(12-29)19(30)28-16-10-14(20(22,23)24)9-15(11-16)21(25,26)27/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,28,30)
InChIKeyOLPVTEJXMAHDDH-UHFFFAOYSA-N
MW510.46 g/mol
LogP4.77
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 43872831) has the molecular formula C21H20F6N2O4S and a molecular weight of 510.46 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID43872831
Molecular FormulaC21H20F6N2O4S
Molecular Weight510.46 g/mol
Exact Mass510.10
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C21H20F6N2O4S/c1-33-17-4-6-18(7-5-17)34(31,32)29-8-2-3-13(12-29)19(30)28-16-10-14(20(22,23)24)9-15(11-16)21(25,26)27/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,28,30)
InChIKeyOLPVTEJXMAHDDH-UHFFFAOYSA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872799
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 94861582
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872907
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 94861578
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302518
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 94861598
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 43872831) is N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is OLPVTEJXMAHDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O4S/c1-33-17-4-6-18(7-5-17)34(31,32)29-8-2-3-13(12-29)19(30)28-16-10-14(20(22,23)24)9-15(11-16)21(25,26)27/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,28,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 510.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43872831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).