2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide

C12H10Cl2N2O4S2 — CID 5089316

IUPAC2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2O4S2/c13-10-2-1-3-11(14)12(10)22(19,20)16-8-4-6-9(7-5-8)21(15,17)18/h1-7,16H,(H2,15,17,18)
InChIKeyUBHSRALEQPGOMT-UHFFFAOYSA-N
MW381.26 g/mol
LogP2.44
Rot. Bonds4

About 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide

2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 5089316) has the molecular formula C12H10Cl2N2O4S2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID5089316
Molecular FormulaC12H10Cl2N2O4S2
Molecular Weight381.26 g/mol
Exact Mass379.95
IUPAC Name2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2O4S2/c13-10-2-1-3-11(14)12(10)22(19,20)16-8-4-6-9(7-5-8)21(15,17)18/h1-7,16H,(H2,15,17,18)
InChIKeyUBHSRALEQPGOMT-UHFFFAOYSA-N
XLogP2.44
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 5089316) is 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is UBHSRALEQPGOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4S2/c13-10-2-1-3-11(14)12(10)22(19,20)16-8-4-6-9(7-5-8)21(15,17)18/h1-7,16H,(H2,15,17,18).
What are the key properties of 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide?
2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 381.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 5089316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).