2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid

C15H15NO6S — CID 898080

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H15NO6S/c1-21-10-7-8-13(22-2)14(9-10)23(19,20)16-12-6-4-3-5-11(12)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyJAUVQIFUCHAVNV-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.20
Rot. Bonds6

About 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid

2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 898080) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
PubChem CID898080
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H15NO6S/c1-21-10-7-8-13(22-2)14(9-10)23(19,20)16-12-6-4-3-5-11(12)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyJAUVQIFUCHAVNV-UHFFFAOYSA-N
XLogP2.20
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
2-Amino-5-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 2357265
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 58598755
3-[(4-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2329148
2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid
CID 2380119
4-[(4-methoxyphenyl)sulfamoyl]benzoic Acid
CID 2376812
Methyl 2-{[(3-fluoro-4-methoxyphenyl)sulfonyl]amino}benzoate
CID 6473058
N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 768881
Ethyl 2-{[(4-methoxyphenyl)sulfonyl]amino}benzoate
CID 771992

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid (CID 898080) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid is COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is JAUVQIFUCHAVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-21-10-7-8-13(22-2)14(9-10)23(19,20)16-12-6-4-3-5-11(12)15(17)18/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid?
2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 337.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 898080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).