4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide

C15H15BrFNO2S — CID 103697429

IUPAC4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1
InChIInChI=1S/C15H15BrFNO2S/c1-10-4-7-15(11(2)8-10)18(3)21(19,20)12-5-6-13(16)14(17)9-12/h4-9H,1-3H3
InChIKeyUJBWWYAEZCACAX-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.03
Rot. Bonds3

About 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide

4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 103697429) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID103697429
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC Name4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1
InChIInChI=1S/C15H15BrFNO2S/c1-10-4-7-15(11(2)8-10)18(3)21(19,20)12-5-6-13(16)14(17)9-12/h4-9H,1-3H3
InChIKeyUJBWWYAEZCACAX-UHFFFAOYSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,4-dimethylphenyl)-methylsulfamoyl]-2-fluorobenzoic acid
CID 71890309
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
N-(2,4-dimethylphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520515
4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650335
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
4-bromo-N-(4-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650281
(2,4-dimethylphenyl)-methylsulfamic acid
CID 19750978
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158827
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide (CID 103697429) is 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1.
What is the InChIKey of 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is UJBWWYAEZCACAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-10-4-7-15(11(2)8-10)18(3)21(19,20)12-5-6-13(16)14(17)9-12/h4-9H,1-3H3.
What are the key properties of 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide?
4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 372.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 103697429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).