N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide

C12H16BrFN2O2S — CID 107592686

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H16BrFN2O2S/c1-9-7-11(14)10(13)8-12(9)15-19(17,18)16-5-3-2-4-6-16/h7-8,15H,2-6H2,1H3
InChIKeyZSLPWJYDQSPHKG-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.04
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide

N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide (PubChem CID 107592686) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
PubChem CID107592686
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H16BrFN2O2S/c1-9-7-11(14)10(13)8-12(9)15-19(17,18)16-5-3-2-4-6-16/h7-8,15H,2-6H2,1H3
InChIKeyZSLPWJYDQSPHKG-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 115663199
N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
CID 103274750
N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132651
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
2-chloro-5-methyl-4-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 167940996
N-(5-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide
CID 43550963

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide (CID 107592686) is N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide is Cc1cc(F)c(Br)cc1NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide?
The InChIKey is ZSLPWJYDQSPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c1-9-7-11(14)10(13)8-12(9)15-19(17,18)16-5-3-2-4-6-16/h7-8,15H,2-6H2,1H3.
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide?
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide has a molecular weight of 351.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 107592686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).