N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide

C22H22F6N2O5S — CID 43872907

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C22H22F6N2O5S/c1-34-17-5-6-18(35-2)19(11-17)36(32,33)30-7-3-4-13(12-30)20(31)29-16-9-14(21(23,24)25)8-15(10-16)22(26,27)28/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,29,31)
InChIKeyZFEGXOYBWIONAF-UHFFFAOYSA-N
MW540.48 g/mol
LogP4.78
Rot. Bonds6

About N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 43872907) has the molecular formula C22H22F6N2O5S and a molecular weight of 540.48 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID43872907
Molecular FormulaC22H22F6N2O5S
Molecular Weight540.48 g/mol
Exact Mass540.12
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C22H22F6N2O5S/c1-34-17-5-6-18(35-2)19(11-17)36(32,33)30-7-3-4-13(12-30)20(31)29-16-9-14(21(23,24)25)8-15(10-16)22(26,27)28/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,29,31)
InChIKeyZFEGXOYBWIONAF-UHFFFAOYSA-N
XLogP4.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 94861598
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872831
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 94861582
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 43872906
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872799
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
(3R)-N-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126396882
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 2986070
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 94861578
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 3325498

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 43872907) is N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ZFEGXOYBWIONAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N2O5S/c1-34-17-5-6-18(35-2)19(11-17)36(32,33)30-7-3-4-13(12-30)20(31)29-16-9-14(21(23,24)25)8-15(10-16)22(26,27)28/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,29,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 540.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43872907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).