3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide

C12H8Cl3NO3S — CID 3823474

IUPAC3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl3NO3S/c13-7-1-4-12(17)11(5-7)16-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,16-17H
InChIKeyNULWVABWQDTFBU-UHFFFAOYSA-N
MW352.63 g/mol
LogP4.15
Rot. Bonds3

About 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide

3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 3823474) has the molecular formula C12H8Cl3NO3S and a molecular weight of 352.63 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide
PubChem CID3823474
Molecular FormulaC12H8Cl3NO3S
Molecular Weight352.63 g/mol
Exact Mass350.93
IUPAC Name3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl3NO3S/c13-7-1-4-12(17)11(5-7)16-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,16-17H
InChIKeyNULWVABWQDTFBU-UHFFFAOYSA-N
XLogP4.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.63
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide (CID 3823474) is 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is NULWVABWQDTFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO3S/c13-7-1-4-12(17)11(5-7)16-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,16-17H.
What are the key properties of 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide?
3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 352.63 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3823474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).