4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide

C14H13BrFNO2S — CID 97161938

IUPAC4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-4-11(7-10(9)2)17-20(18,19)12-5-6-13(15)14(16)8-12/h3-8,17H,1-2H3
InChIKeyHDUPCEZDHQEYQM-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.01
Rot. Bonds3

About 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide

4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide (PubChem CID 97161938) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
PubChem CID97161938
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-4-11(7-10(9)2)17-20(18,19)12-5-6-13(15)14(16)8-12/h3-8,17H,1-2H3
InChIKeyHDUPCEZDHQEYQM-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide (CID 97161938) is 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1C.
What is the InChIKey of 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is HDUPCEZDHQEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-9-3-4-11(7-10(9)2)17-20(18,19)12-5-6-13(15)14(16)8-12/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 97161938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).