2,4,6-tribromo-N-methylbenzenesulfonamide

C7H6Br3NO2S — CID 130548849

IUPAC2,4,6-tribromo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C7H6Br3NO2S/c1-11-14(12,13)7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeySHQCYWHHMPDRDL-UHFFFAOYSA-N
MW407.91 g/mol
LogP2.88
Rot. Bonds2

About 2,4,6-tribromo-N-methylbenzenesulfonamide

2,4,6-tribromo-N-methylbenzenesulfonamide (PubChem CID 130548849) has the molecular formula C7H6Br3NO2S and a molecular weight of 407.91 g/mol. Its IUPAC name is 2,4,6-tribromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-tribromo-N-methylbenzenesulfonamide
PubChem CID130548849
Molecular FormulaC7H6Br3NO2S
Molecular Weight407.91 g/mol
Exact Mass404.77
IUPAC Name2,4,6-tribromo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C7H6Br3NO2S/c1-11-14(12,13)7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeySHQCYWHHMPDRDL-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,6-tribromo-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-6-methylbenzenesulfonyl chloride
CID 91678308
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide
CID 166387257
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
[3,5-dimethyl-4-(methylsulfamoyl)phenyl]boronic acid
CID 91759173
2-bromo-N-methylbenzenesulfonamide
CID 850141
5-bromo-2-hydroxy-N-methylbenzenesulfonamide
CID 169108659
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
3-amino-4-(2,4-dibromoanilino)-N-methylbenzenesulfonamide
CID 61475283
2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
2-amino-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-methylbenzenesulfonamide?
The IUPAC name of 2,4,6-tribromo-N-methylbenzenesulfonamide (CID 130548849) is 2,4,6-tribromo-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-tribromo-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4,6-tribromo-N-methylbenzenesulfonamide is CNS(=O)(=O)c1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-methylbenzenesulfonamide?
The InChIKey is SHQCYWHHMPDRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br3NO2S/c1-11-14(12,13)7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3.
What are the key properties of 2,4,6-tribromo-N-methylbenzenesulfonamide?
2,4,6-tribromo-N-methylbenzenesulfonamide has a molecular weight of 407.91 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 130548849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).