3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

C14H13NO5S — CID 766535

IUPAC3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO5S/c1-20-12-7-5-11(6-8-12)15-21(18,19)13-4-2-3-10(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyLHWPHUNFEGTNIZ-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.19
Rot. Bonds5

About 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

3-[(4-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 766535) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID766535
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO5S/c1-20-12-7-5-11(6-8-12)15-21(18,19)13-4-2-3-10(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyLHWPHUNFEGTNIZ-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 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid (CID 766535) is 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is LHWPHUNFEGTNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-20-12-7-5-11(6-8-12)15-21(18,19)13-4-2-3-10(9-13)14(16)17/h2-9,15H,1H3,(H,16,17).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
3-[(4-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 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 766535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).