3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide

C12H12N2O5S2 — CID 81264911

IUPAC3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C12H12N2O5S2/c13-20(16,17)11-5-1-3-9(7-11)14-21(18,19)12-6-2-4-10(15)8-12/h1-8,14-15H,(H2,13,16,17)
InChIKeyVKJSFMOMEQXLKL-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.84
Rot. Bonds4

About 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide

3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 81264911) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
PubChem CID81264911
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C12H12N2O5S2/c13-20(16,17)11-5-1-3-9(7-11)14-21(18,19)12-6-2-4-10(15)8-12/h1-8,14-15H,(H2,13,16,17)
InChIKeyVKJSFMOMEQXLKL-UHFFFAOYSA-N
XLogP0.84
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide
CID 168527507
3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589119
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 56688809
3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide (CID 81264911) is 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(O)c2)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is VKJSFMOMEQXLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c13-20(16,17)11-5-1-3-9(7-11)14-21(18,19)12-6-2-4-10(15)8-12/h1-8,14-15H,(H2,13,16,17).
What are the key properties of 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide?
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 328.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 81264911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).