N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide

C20H22BrFN2O4S — CID 3455975

IUPACN-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(Br)cc3F)C2)cc1C
InChIInChI=1S/C20H22BrFN2O4S/c1-13-10-16(6-8-19(13)28-2)29(26,27)24-9-3-4-14(12-24)20(25)23-18-7-5-15(21)11-17(18)22/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,25)
InChIKeyGWKHVZVMGYIEMF-UHFFFAOYSA-N
MW485.38 g/mol
LogP3.94
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3455975) has the molecular formula C20H22BrFN2O4S and a molecular weight of 485.38 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3455975
Molecular FormulaC20H22BrFN2O4S
Molecular Weight485.38 g/mol
Exact Mass484.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(Br)cc3F)C2)cc1C
InChIInChI=1S/C20H22BrFN2O4S/c1-13-10-16(6-8-19(13)28-2)29(26,27)24-9-3-4-14(12-24)20(25)23-18-7-5-15(21)11-17(18)22/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,25)
InChIKeyGWKHVZVMGYIEMF-UHFFFAOYSA-N
XLogP3.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302559
N-(4-chloro-2-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5164902
(3R)-N-(2-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2238304
(3R)-N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690844
(3S)-N-(3-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302430
(3S)-1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 27160447
N-(5-bromo-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55906809
(3S)-N-(4-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302313
1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide
CID 5221432
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3931290
(3S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 28549944
(3R)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100795949

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 3455975) is N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(Br)cc3F)C2)cc1C.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GWKHVZVMGYIEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN2O4S/c1-13-10-16(6-8-19(13)28-2)29(26,27)24-9-3-4-14(12-24)20(25)23-18-7-5-15(21)11-17(18)22/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 485.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3455975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).