1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

C20H21F3N2O5S — CID 43872906

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(F)c(F)c3F)C2)c1
InChIInChI=1S/C20H21F3N2O5S/c1-29-13-5-8-16(30-2)17(10-13)31(27,28)25-9-3-4-12(11-25)20(26)24-15-7-6-14(21)18(22)19(15)23/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,24,26)
InChIKeyPLZDDQKGBBDOKN-UHFFFAOYSA-N
MW458.46 g/mol
LogP3.16
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (PubChem CID 43872906) has the molecular formula C20H21F3N2O5S and a molecular weight of 458.46 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
PubChem CID43872906
Molecular FormulaC20H21F3N2O5S
Molecular Weight458.46 g/mol
Exact Mass458.11
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(F)c(F)c3F)C2)c1
InChIInChI=1S/C20H21F3N2O5S/c1-29-13-5-8-16(30-2)17(10-13)31(27,28)25-9-3-4-12(11-25)20(26)24-15-7-6-14(21)18(22)19(15)23/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,24,26)
InChIKeyPLZDDQKGBBDOKN-UHFFFAOYSA-N
XLogP3.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550082
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28549881
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 28550561
(3S)-N-(2,4-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397123
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3746097
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872907
1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 28550723
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
(3R)-1-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550001
(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98050950

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (CID 43872906) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(F)c(F)c3F)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The InChIKey is PLZDDQKGBBDOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O5S/c1-29-13-5-8-16(30-2)17(10-13)31(27,28)25-9-3-4-12(11-25)20(26)24-15-7-6-14(21)18(22)19(15)23/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,24,26).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide has a molecular weight of 458.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43872906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).