2-[(2-methoxyphenyl)sulfonylamino]benzoic acid

C14H13NO5S — CID 43091453

IUPAC2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H13NO5S/c1-20-12-8-4-5-9-13(12)21(18,19)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyJUXMPJFAWHSOTO-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.19
Rot. Bonds5

About 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid

2-[(2-methoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 43091453) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
PubChem CID43091453
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H13NO5S/c1-20-12-8-4-5-9-13(12)21(18,19)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyJUXMPJFAWHSOTO-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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Related Compounds

methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
3-[(2-methoxyphenyl)sulfonylamino]-2-methylbenzamide
CID 86983204
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid (CID 43091453) is 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid is COc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is JUXMPJFAWHSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-20-12-8-4-5-9-13(12)21(18,19)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17).
What are the key properties of 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid?
2-[(2-methoxyphenyl)sulfonylamino]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 2-[(2-methoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 43091453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).