4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide

C14H13BrFNO2S — CID 97161995

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

About 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide

4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide (PubChem CID 97161995) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
PubChem CID97161995
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-6-14(10(2)7-9)17-20(18,19)11-4-5-12(15)13(16)8-11/h3-8,17H,1-2H3
InChIKeyYDMWKMQFSAXVKG-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-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 39845518
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea
CID 47005881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide (CID 97161995) is 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1.
What is the InChIKey of 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is YDMWKMQFSAXVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-9-3-6-14(10(2)7-9)17-20(18,19)11-4-5-12(15)13(16)8-11/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(2,4-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-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 97161995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).