2,6-dibromo-4-chlorobenzenesulfonamide

C6H4Br2ClNO2S — CID 130484005

IUPAC2,6-dibromo-4-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C6H4Br2ClNO2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyXQYKAJLMZXPTGU-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.51
Rot. Bonds1

About 2,6-dibromo-4-chlorobenzenesulfonamide

2,6-dibromo-4-chlorobenzenesulfonamide (PubChem CID 130484005) has the molecular formula C6H4Br2ClNO2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,6-dibromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2,6-dibromo-4-chlorobenzenesulfonamide
PubChem CID130484005
Molecular FormulaC6H4Br2ClNO2S
Molecular Weight349.43 g/mol
Exact Mass346.80
IUPAC Name2,6-dibromo-4-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C6H4Br2ClNO2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyXQYKAJLMZXPTGU-UHFFFAOYSA-N
XLogP2.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-chlorobenzenesulfonamide?
The IUPAC name of 2,6-dibromo-4-chlorobenzenesulfonamide (CID 130484005) is 2,6-dibromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for 2,6-dibromo-4-chlorobenzenesulfonamide?
The canonical SMILES for 2,6-dibromo-4-chlorobenzenesulfonamide is NS(=O)(=O)c1c(Br)cc(Cl)cc1Br.
What is the InChIKey of 2,6-dibromo-4-chlorobenzenesulfonamide?
The InChIKey is XQYKAJLMZXPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2ClNO2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of 2,6-dibromo-4-chlorobenzenesulfonamide?
2,6-dibromo-4-chlorobenzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 130484005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).