4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide

C13H9BrCl3NO2S — CID 60650327

IUPAC4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C13H9BrCl3NO2S/c1-7-4-9(2-3-10(7)14)21(19,20)18-13-11(16)5-8(15)6-12(13)17/h2-6,18H,1H3
InChIKeyCWUMUOMCNKWERE-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.52
Rot. Bonds3

About 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide

4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide (PubChem CID 60650327) has the molecular formula C13H9BrCl3NO2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
PubChem CID60650327
Molecular FormulaC13H9BrCl3NO2S
Molecular Weight429.55 g/mol
Exact Mass426.86
IUPAC Name4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C13H9BrCl3NO2S/c1-7-4-9(2-3-10(7)14)21(19,20)18-13-11(16)5-8(15)6-12(13)17/h2-6,18H,1H3
InChIKeyCWUMUOMCNKWERE-UHFFFAOYSA-N
XLogP5.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide
CID 35546879
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide (CID 60650327) is 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The InChIKey is CWUMUOMCNKWERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3NO2S/c1-7-4-9(2-3-10(7)14)21(19,20)18-13-11(16)5-8(15)6-12(13)17/h2-6,18H,1H3.
What are the key properties of 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide has a molecular weight of 429.55 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 60650327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).