4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide

C12H10BrFN2O2S — CID 86796625

IUPAC4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C12H10BrFN2O2S/c1-8-6-9(13)2-3-12(8)19(17,18)16-11-4-5-15-7-10(11)14/h2-7H,1H3,(H,15,16)
InChIKeyJJQOUQBNHVCWLK-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.09
Rot. Bonds3

About 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide

4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 86796625) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID86796625
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C12H10BrFN2O2S/c1-8-6-9(13)2-3-12(8)19(17,18)16-11-4-5-15-7-10(11)14/h2-7H,1H3,(H,15,16)
InChIKeyJJQOUQBNHVCWLK-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

N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699
2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000398
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 107594731

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide (CID 86796625) is 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide is Cc1cc(Br)ccc1S(=O)(=O)Nc1ccncc1F.
What is the InChIKey of 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is JJQOUQBNHVCWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-8-6-9(13)2-3-12(8)19(17,18)16-11-4-5-15-7-10(11)14/h2-7H,1H3,(H,15,16).
What are the key properties of 4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide?
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide 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-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 86796625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).