(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide

C13H16BrFN2O3S — CID 31407732

IUPAC(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3S/c1-21(19,20)17-7-3-2-4-12(17)13(18)16-11-6-5-9(14)8-10(11)15/h5-6,8,12H,2-4,7H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyMLQHZWCFEFUMDV-GFCCVEGCSA-N
MW379.25 g/mol
LogP2.34
Rot. Bonds3

About (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide

(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 31407732) has the molecular formula C13H16BrFN2O3S and a molecular weight of 379.25 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID31407732
Molecular FormulaC13H16BrFN2O3S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC Name(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3S/c1-21(19,20)17-7-3-2-4-12(17)13(18)16-11-6-5-9(14)8-10(11)15/h5-6,8,12H,2-4,7H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyMLQHZWCFEFUMDV-GFCCVEGCSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
CID 42933740
tert-butyl 2-[(4-bromo-2-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 56545526
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607
N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79139023
N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide
CID 43096857
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093578
1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
CID 4656098
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 87026032
(2S)-N-[2-[(2S)-2-[(4-bromophenyl)carbamoyl]pyrrolidin-1-yl]sulfonylphenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 139191952

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide (CID 31407732) is (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is MLQHZWCFEFUMDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16BrFN2O3S/c1-21(19,20)17-7-3-2-4-12(17)13(18)16-11-6-5-9(14)8-10(11)15/h5-6,8,12H,2-4,7H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide?
(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 31407732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).