3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide

C12H8Cl4N2O5S2 — CID 70400082

IUPAC3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(Cl)c1Oc1c(S(N)(=O)=O)ccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl4N2O5S2/c13-5-1-3-7(24(17,19)20)11(9(5)15)23-12-8(25(18,21)22)4-2-6(14)10(12)16/h1-4H,(H2,17,19,20)(H2,18,21,22)
InChIKeyHLEMCXMWHSWSFI-UHFFFAOYSA-N
MW466.15 g/mol
LogP3.39
Rot. Bonds4

About 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide

3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide (PubChem CID 70400082) has the molecular formula C12H8Cl4N2O5S2 and a molecular weight of 466.15 g/mol. Its IUPAC name is 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide
PubChem CID70400082
Molecular FormulaC12H8Cl4N2O5S2
Molecular Weight466.15 g/mol
Exact Mass463.86
IUPAC Name3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(Cl)c1Oc1c(S(N)(=O)=O)ccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl4N2O5S2/c13-5-1-3-7(24(17,19)20)11(9(5)15)23-12-8(25(18,21)22)4-2-6(14)10(12)16/h1-4H,(H2,17,19,20)(H2,18,21,22)
InChIKeyHLEMCXMWHSWSFI-UHFFFAOYSA-N
XLogP3.39
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.15
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide (CID 70400082) is 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(Cl)c1Oc1c(S(N)(=O)=O)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide?
The InChIKey is HLEMCXMWHSWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2O5S2/c13-5-1-3-7(24(17,19)20)11(9(5)15)23-12-8(25(18,21)22)4-2-6(14)10(12)16/h1-4H,(H2,17,19,20)(H2,18,21,22).
What are the key properties of 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide?
3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide has a molecular weight of 466.15 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(2,3-dichloro-6-sulfamoylphenoxy)benzenesulfonamide is sourced from PubChem (CID 70400082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).