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

C13H10ClNO5S — CID 2062357

IUPAC2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Cl
InChIInChI=1S/C13H10ClNO5S/c14-12-6-5-10(7-11(12)13(17)18)21(19,20)15-8-1-3-9(16)4-2-8/h1-7,15-16H,(H,17,18)
InChIKeyLTMPRTMEHNNTIQ-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.54
Rot. Bonds4

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

2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2062357) has the molecular formula C13H10ClNO5S and a molecular weight of 327.75 g/mol. Its IUPAC name is 2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid
PubChem CID2062357
Molecular FormulaC13H10ClNO5S
Molecular Weight327.75 g/mol
Exact Mass327.00
IUPAC Name2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Cl
InChIInChI=1S/C13H10ClNO5S/c14-12-6-5-10(7-11(12)13(17)18)21(19,20)15-8-1-3-9(16)4-2-8/h1-7,15-16H,(H,17,18)
InChIKeyLTMPRTMEHNNTIQ-UHFFFAOYSA-N
XLogP2.54
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 52.54
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-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid (CID 2062357) is 2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is LTMPRTMEHNNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO5S/c14-12-6-5-10(7-11(12)13(17)18)21(19,20)15-8-1-3-9(16)4-2-8/h1-7,15-16H,(H,17,18).
What are the key properties of 2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid?
2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 327.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2062357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).