N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide

C14H12BrF2NO2S — CID 61062760

IUPACN-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12BrF2NO2S/c1-8-5-10(15)6-9(2)14(8)18-21(19,20)11-3-4-12(16)13(17)7-11/h3-7,18H,1-2H3
InChIKeySHNGBWKHSNVJKX-UHFFFAOYSA-N
MW376.22 g/mol
LogP4.14
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide

N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 61062760) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID61062760
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12BrF2NO2S/c1-8-5-10(15)6-9(2)14(8)18-21(19,20)11-3-4-12(16)13(17)7-11/h3-7,18H,1-2H3
InChIKeySHNGBWKHSNVJKX-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169370170
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide (CID 61062760) is N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide is Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is SHNGBWKHSNVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c1-8-5-10(15)6-9(2)14(8)18-21(19,20)11-3-4-12(16)13(17)7-11/h3-7,18H,1-2H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide?
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 61062760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).