5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide

C13H9BrF3NO2S — CID 62813296

IUPAC5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H9BrF3NO2S/c1-7-2-3-8(14)4-12(7)21(19,20)18-9-5-10(15)13(17)11(16)6-9/h2-6,18H,1H3
InChIKeyBJRJYPRYVACGMV-UHFFFAOYSA-N
MW380.19 g/mol
LogP3.98
Rot. Bonds3

About 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide

5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide (PubChem CID 62813296) has the molecular formula C13H9BrF3NO2S and a molecular weight of 380.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
PubChem CID62813296
Molecular FormulaC13H9BrF3NO2S
Molecular Weight380.19 g/mol
Exact Mass378.95
IUPAC Name5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H9BrF3NO2S/c1-7-2-3-8(14)4-12(7)21(19,20)18-9-5-10(15)13(17)11(16)6-9/h2-6,18H,1H3
InChIKeyBJRJYPRYVACGMV-UHFFFAOYSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 62316181
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide
CID 116528398
2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62813648
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide (CID 62813296) is 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The InChIKey is BJRJYPRYVACGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO2S/c1-7-2-3-8(14)4-12(7)21(19,20)18-9-5-10(15)13(17)11(16)6-9/h2-6,18H,1H3.
What are the key properties of 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide has a molecular weight of 380.19 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 62813296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).