N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide

C12H16BrFN2O2S — CID 43096857

IUPACN-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(13)8-11(12)14/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyZZWZOBMHWHZWQB-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.12
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide

N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 43096857) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide
PubChem CID43096857
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(13)8-11(12)14/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyZZWZOBMHWHZWQB-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide
CID 43550872
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867
(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 31407732
N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
CID 28785168
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106030566
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide (CID 43096857) is N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is ZZWZOBMHWHZWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(13)8-11(12)14/h5-6,8-9,15H,2-4,7H2,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide?
N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 351.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43096857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).