N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide

C13H12BrFN2O2S — CID 110504674

IUPACN-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(F)cc2Br)cc1C
InChIInChI=1S/C13H12BrFN2O2S/c1-8-3-4-11(5-9(8)2)20(18,19)17-13-12(14)6-10(15)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyVFABYEZANXAVPV-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.40
Rot. Bonds3

About N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide

N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 110504674) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
PubChem CID110504674
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC NameN-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(F)cc2Br)cc1C
InChIInChI=1S/C13H12BrFN2O2S/c1-8-3-4-11(5-9(8)2)20(18,19)17-13-12(14)6-10(15)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyVFABYEZANXAVPV-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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Related Compounds

N-(3-bromo-5-fluoro-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 110504689
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzenesulfonamide
CID 83078624
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide (CID 110504674) is N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(F)cc2Br)cc1C.
What is the InChIKey of N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is VFABYEZANXAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-8-3-4-11(5-9(8)2)20(18,19)17-13-12(14)6-10(15)7-16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
N-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide 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-(3-bromo-5-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110504674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).