4-[(2-methoxyphenyl)sulfamoyl]benzoic acid

C14H13NO5S — CID 2333505

IUPAC4-[(2-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13NO5S/c1-20-13-5-3-2-4-12(13)15-21(18,19)11-8-6-10(7-9-11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyHZJZEEWZSYAYKT-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.19
Rot. Bonds5

About 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid

4-[(2-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2333505) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2333505
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13NO5S/c1-20-13-5-3-2-4-12(13)15-21(18,19)11-8-6-10(7-9-11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyHZJZEEWZSYAYKT-UHFFFAOYSA-N
XLogP2.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid (CID 2333505) is 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is HZJZEEWZSYAYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-20-13-5-3-2-4-12(13)15-21(18,19)11-8-6-10(7-9-11)14(16)17/h2-9,15H,1H3,(H,16,17).
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
4-[(2-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2333505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).