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

C12H9Cl2NO3S — CID 2983003

IUPAC3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO3S/c13-9-6-5-8(7-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h1-7,15-16H
InChIKeyNVFGMSPKJXLVDN-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.50
Rot. Bonds3

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

3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide (PubChem CID 2983003) has the molecular formula C12H9Cl2NO3S and a molecular weight of 318.18 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
PubChem CID2983003
Molecular FormulaC12H9Cl2NO3S
Molecular Weight318.18 g/mol
Exact Mass316.97
IUPAC Name3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO3S/c13-9-6-5-8(7-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h1-7,15-16H
InChIKeyNVFGMSPKJXLVDN-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.50
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-(2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide (CID 2983003) is 3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is NVFGMSPKJXLVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3S/c13-9-6-5-8(7-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h1-7,15-16H.
What are the key properties of 3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide?
3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 318.18 g/mol, XLogP of 3.50, 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-(2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2983003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).