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

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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).