4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide

C12H10BrFN2O2S — CID 116528754

IUPAC4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cn1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-2-4-10(7-15-8)16-19(17,18)12-5-3-9(13)6-11(12)14/h2-7,16H,1H3
InChIKeyQOIVMFCBIPKVKG-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.09
Rot. Bonds3

About 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide

4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 116528754) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID116528754
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cn1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-2-4-10(7-15-8)16-19(17,18)12-5-3-9(13)6-11(12)14/h2-7,16H,1H3
InChIKeyQOIVMFCBIPKVKG-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide
CID 116528398
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073213
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide (CID 116528754) is 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cn1.
What is the InChIKey of 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is QOIVMFCBIPKVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-8-2-4-10(7-15-8)16-19(17,18)12-5-3-9(13)6-11(12)14/h2-7,16H,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 116528754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).