4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

C13H10BrF2NO2S — CID 97162019

IUPAC4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1F
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(6-12(8)15)17-20(18,19)10-4-5-11(14)13(16)7-10/h2-7,17H,1H3
InChIKeyZAJFKYSFTGAVCI-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 97162019) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID97162019
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC Name4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1F
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(6-12(8)15)17-20(18,19)10-4-5-11(14)13(16)7-10/h2-7,17H,1H3
InChIKeyZAJFKYSFTGAVCI-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532718
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
3-amino-N-(4-bromo-3-fluorophenyl)-5-methylbenzenesulfonamide
CID 65437830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (CID 97162019) is 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1F.
What is the InChIKey of 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is ZAJFKYSFTGAVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(6-12(8)15)17-20(18,19)10-4-5-11(14)13(16)7-10/h2-7,17H,1H3.
What are the key properties of 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 362.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 97162019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).