4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide

C13H10Br2FNO2S — CID 60824396

IUPAC4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Br)ccc2F)ccc1Br
InChIInChI=1S/C13H10Br2FNO2S/c1-8-6-10(3-4-11(8)15)20(18,19)17-13-7-9(14)2-5-12(13)16/h2-7,17H,1H3
InChIKeyIGVWKHLTCQIFGN-UHFFFAOYSA-N
MW423.10 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide

4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide (PubChem CID 60824396) has the molecular formula C13H10Br2FNO2S and a molecular weight of 423.10 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
PubChem CID60824396
Molecular FormulaC13H10Br2FNO2S
Molecular Weight423.10 g/mol
Exact Mass420.88
IUPAC Name4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Br)ccc2F)ccc1Br
InChIInChI=1S/C13H10Br2FNO2S/c1-8-6-10(3-4-11(8)15)20(18,19)17-13-7-9(14)2-5-12(13)16/h2-7,17H,1H3
InChIKeyIGVWKHLTCQIFGN-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

4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 60823914
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzenesulfonamide
CID 83078624
4-bromo-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzenesulfonamide
CID 82886303
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide (CID 60824396) is 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Br)ccc2F)ccc1Br.
What is the InChIKey of 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is IGVWKHLTCQIFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO2S/c1-8-6-10(3-4-11(8)15)20(18,19)17-13-7-9(14)2-5-12(13)16/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(5-bromo-2-fluorophenyl)-3-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 4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 60824396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).