2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid

C13H9Cl2NO5S — CID 22331937

IUPAC2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO5S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)16-7-1-3-8(17)4-2-7/h1-6,16-17H,(H,18,19)
InChIKeyGDADYGXRMBLHTR-UHFFFAOYSA-N
MW362.19 g/mol
LogP3.20
Rot. Bonds4

About 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid

2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid (PubChem CID 22331937) has the molecular formula C13H9Cl2NO5S and a molecular weight of 362.19 g/mol. Its IUPAC name is 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid
PubChem CID22331937
Molecular FormulaC13H9Cl2NO5S
Molecular Weight362.19 g/mol
Exact Mass360.96
IUPAC Name2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO5S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)16-7-1-3-8(17)4-2-7/h1-6,16-17H,(H,18,19)
InChIKeyGDADYGXRMBLHTR-UHFFFAOYSA-N
XLogP3.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid (CID 22331937) is 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is GDADYGXRMBLHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO5S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)16-7-1-3-8(17)4-2-7/h1-6,16-17H,(H,18,19).
What are the key properties of 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 362.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 22331937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).