2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid

C14H14N2O5S — CID 2357263

IUPAC2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C14H14N2O5S/c1-21-13-5-3-2-4-12(13)16-22(19,20)9-6-7-11(15)10(8-9)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyYPLBETLVRBXNEI-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid

2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2357263) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2357263
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C14H14N2O5S/c1-21-13-5-3-2-4-12(13)16-22(19,20)9-6-7-11(15)10(8-9)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyYPLBETLVRBXNEI-UHFFFAOYSA-N
XLogP1.78
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid (CID 2357263) is 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccccc1NS(=O)(=O)c1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is YPLBETLVRBXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-21-13-5-3-2-4-12(13)16-22(19,20)9-6-7-11(15)10(8-9)14(17)18/h2-8,16H,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 322.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2357263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).