4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide

C12H16BrFN2O2S — CID 103828881

IUPAC4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O2S/c1-16(9-4-6-15-7-5-9)19(17,18)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyWOWHVCLUZJFFTM-UHFFFAOYSA-N
MW351.24 g/mol
LogP1.96
Rot. Bonds3

About 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide

4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 103828881) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID103828881
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC Name4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O2S/c1-16(9-4-6-15-7-5-9)19(17,18)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyWOWHVCLUZJFFTM-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 103697325
3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965840
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650164
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
3-bromo-4-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 119965919
4-bromo-5-fluoro-2-methoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120707436
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
CID 54952440

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide (CID 103828881) is 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide is CN(C1CCNCC1)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is WOWHVCLUZJFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c1-16(9-4-6-15-7-5-9)19(17,18)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 351.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 103828881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).