2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide

C14H12Br2FNO2S — CID 107593575

IUPAC2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)c(Br)c1
InChIInChI=1S/C14H12Br2FNO2S/c1-8-3-4-14(11(16)5-8)21(19,20)18-13-7-10(15)12(17)6-9(13)2/h3-7,18H,1-2H3
InChIKeyDWMYBANWXFKFPC-UHFFFAOYSA-N
MW437.13 g/mol
LogP4.77
Rot. Bonds3

About 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide

2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 107593575) has the molecular formula C14H12Br2FNO2S and a molecular weight of 437.13 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID107593575
Molecular FormulaC14H12Br2FNO2S
Molecular Weight437.13 g/mol
Exact Mass434.89
IUPAC Name2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)c(Br)c1
InChIInChI=1S/C14H12Br2FNO2S/c1-8-3-4-14(11(16)5-8)21(19,20)18-13-7-10(15)12(17)6-9(13)2/h3-7,18H,1-2H3
InChIKeyDWMYBANWXFKFPC-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590903
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
CID 82888797
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide (CID 107593575) is 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)c(Br)c1.
What is the InChIKey of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is DWMYBANWXFKFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO2S/c1-8-3-4-14(11(16)5-8)21(19,20)18-13-7-10(15)12(17)6-9(13)2/h3-7,18H,1-2H3.
What are the key properties of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 437.13 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 107593575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).