2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide

C15H15BrF2N2O4S2 — CID 4785544

IUPAC2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H15BrF2N2O4S2/c1-9-4-5-11(8-14(9)26(23,24)20(2)3)19-25(21,22)15-12(16)6-10(17)7-13(15)18/h4-8,19H,1-3H3
InChIKeyJSVAWYGYNGSPGG-UHFFFAOYSA-N
MW469.33 g/mol
LogP3.09
Rot. Bonds5

About 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide

2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide (PubChem CID 4785544) has the molecular formula C15H15BrF2N2O4S2 and a molecular weight of 469.33 g/mol. Its IUPAC name is 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide
PubChem CID4785544
Molecular FormulaC15H15BrF2N2O4S2
Molecular Weight469.33 g/mol
Exact Mass467.96
IUPAC Name2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H15BrF2N2O4S2/c1-9-4-5-11(8-14(9)26(23,24)20(2)3)19-25(21,22)15-12(16)6-10(17)7-13(15)18/h4-8,19H,1-3H3
InChIKeyJSVAWYGYNGSPGG-UHFFFAOYSA-N
XLogP3.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide (CID 4785544) is 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide?
The InChIKey is JSVAWYGYNGSPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O4S2/c1-9-4-5-11(8-14(9)26(23,24)20(2)3)19-25(21,22)15-12(16)6-10(17)7-13(15)18/h4-8,19H,1-3H3.
What are the key properties of 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide?
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide has a molecular weight of 469.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4,6-difluorobenzenesulfonamide is sourced from PubChem (CID 4785544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).