3,5-dichloro-4-hydroxybenzenesulfonamide

C6H5Cl2NO3S — CID 12526990

IUPAC3,5-dichloro-4-hydroxybenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H,(H2,9,11,12)
InChIKeyYQSLMTQTHWSVHZ-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.35
Rot. Bonds1

About 3,5-dichloro-4-hydroxybenzenesulfonamide

3,5-dichloro-4-hydroxybenzenesulfonamide (PubChem CID 12526990) has the molecular formula C6H5Cl2NO3S and a molecular weight of 242.08 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxybenzenesulfonamide
PubChem CID12526990
Molecular FormulaC6H5Cl2NO3S
Molecular Weight242.08 g/mol
Exact Mass240.94
IUPAC Name3,5-dichloro-4-hydroxybenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H,(H2,9,11,12)
InChIKeyYQSLMTQTHWSVHZ-UHFFFAOYSA-N
XLogP1.35
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-hydroxybenzenesulfonamide (CID 12526990) is 3,5-dichloro-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-hydroxybenzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-hydroxybenzenesulfonamide?
The InChIKey is YQSLMTQTHWSVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H,(H2,9,11,12).
What are the key properties of 3,5-dichloro-4-hydroxybenzenesulfonamide?
3,5-dichloro-4-hydroxybenzenesulfonamide has a molecular weight of 242.08 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 12526990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).