1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide

C19H20BrFN2O3S — CID 100798996

IUPAC1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20BrFN2O3S/c1-22(17-6-4-16(21)5-7-17)19(24)14-10-12-23(13-11-14)27(25,26)18-8-2-15(20)3-9-18/h2-9,14H,10-13H2,1H3
InChIKeyZWADCBRVCSUVQG-UHFFFAOYSA-N
MW455.35 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide

1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 100798996) has the molecular formula C19H20BrFN2O3S and a molecular weight of 455.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
PubChem CID100798996
Molecular FormulaC19H20BrFN2O3S
Molecular Weight455.35 g/mol
Exact Mass454.04
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20BrFN2O3S/c1-22(17-6-4-16(21)5-7-17)19(24)14-10-12-23(13-11-14)27(25,26)18-8-2-15(20)3-9-18/h2-9,14H,10-13H2,1H3
InChIKeyZWADCBRVCSUVQG-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 47868124
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 125049657
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
N-(4-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150778
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 100799999
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide (CID 100798996) is 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is ZWADCBRVCSUVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3S/c1-22(17-6-4-16(21)5-7-17)19(24)14-10-12-23(13-11-14)27(25,26)18-8-2-15(20)3-9-18/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 100798996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).