N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide

C13H12BrFN2O2S — CID 103580466

IUPACN-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cncc(F)c2)cc(C)c1Br
InChIInChI=1S/C13H12BrFN2O2S/c1-8-3-11(4-9(2)13(8)14)17-20(18,19)12-5-10(15)6-16-7-12/h3-7,17H,1-2H3
InChIKeyPIXKGPQCXCDMIG-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.40
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide

N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide (PubChem CID 103580466) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide
PubChem CID103580466
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cncc(F)c2)cc(C)c1Br
InChIInChI=1S/C13H12BrFN2O2S/c1-8-3-11(4-9(2)13(8)14)17-20(18,19)12-5-10(15)6-16-7-12/h3-7,17H,1-2H3
InChIKeyPIXKGPQCXCDMIG-UHFFFAOYSA-N
XLogP3.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide (CID 103580466) is N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cncc(F)c2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is PIXKGPQCXCDMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-8-3-11(4-9(2)13(8)14)17-20(18,19)12-5-10(15)6-16-7-12/h3-7,17H,1-2H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide?
N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 359.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 103580466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).