2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide

C13H10Br2FNO2S — CID 65436218

IUPAC2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c(Br)c1
InChIInChI=1S/C13H10Br2FNO2S/c1-8-2-5-13(11(15)6-8)20(18,19)17-9-3-4-10(14)12(16)7-9/h2-7,17H,1H3
InChIKeyANOCFOUFVPQAAD-UHFFFAOYSA-N
MW423.10 g/mol
LogP4.46
Rot. Bonds3

About 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide

2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 65436218) has the molecular formula C13H10Br2FNO2S and a molecular weight of 423.10 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID65436218
Molecular FormulaC13H10Br2FNO2S
Molecular Weight423.10 g/mol
Exact Mass420.88
IUPAC Name2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c(Br)c1
InChIInChI=1S/C13H10Br2FNO2S/c1-8-2-5-13(11(15)6-8)20(18,19)17-9-3-4-10(14)12(16)7-9/h2-7,17H,1H3
InChIKeyANOCFOUFVPQAAD-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.10
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43602585
2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
CID 82888797
4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2809184
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 35506281
5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106067078
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide (CID 65436218) is 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is ANOCFOUFVPQAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO2S/c1-8-2-5-13(11(15)6-8)20(18,19)17-9-3-4-10(14)12(16)7-9/h2-7,17H,1H3.
What are the key properties of 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide?
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 423.10 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 65436218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).