5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid

C9H10N2O7S — CID 114462428

IUPAC5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C9H10N2O7S/c1-18-9(15)11-19(16,17)10-7-3-2-5(12)4-6(7)8(13)14/h2-4,10,12H,1H3,(H,11,15)(H,13,14)
InChIKeyXMOWTVIOTTVJGT-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.10
Rot. Bonds4

About 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid

5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid (PubChem CID 114462428) has the molecular formula C9H10N2O7S and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
PubChem CID114462428
Molecular FormulaC9H10N2O7S
Molecular Weight290.25 g/mol
Exact Mass290.02
IUPAC Name5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C9H10N2O7S/c1-18-9(15)11-19(16,17)10-7-3-2-5(12)4-6(7)8(13)14/h2-4,10,12H,1H3,(H,11,15)(H,13,14)
InChIKeyXMOWTVIOTTVJGT-UHFFFAOYSA-N
XLogP0.10
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid
CID 113343908
5-hydroxy-2-(methanesulfonamido)benzoic acid
CID 61406346
methyl 2-(methoxycarbonylsulfamoylamino)benzoate
CID 115872550
2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
CID 61405743
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-5-hydroxybenzoic acid
CID 61458893
2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid
CID 64987916
2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid
CID 114462681
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 61406079

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid?
The IUPAC name of 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid (CID 114462428) is 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid is COC(=O)NS(=O)(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid?
The InChIKey is XMOWTVIOTTVJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O7S/c1-18-9(15)11-19(16,17)10-7-3-2-5(12)4-6(7)8(13)14/h2-4,10,12H,1H3,(H,11,15)(H,13,14).
What are the key properties of 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid?
5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid has a molecular weight of 290.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114462428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).