4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid

C10H15N3O5S — CID 114814171

IUPAC4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
SMILESCOCCNS(=O)(=O)Nc1cc(N)ccc1C(=O)O
InChIInChI=1S/C10H15N3O5S/c1-18-5-4-12-19(16,17)13-9-6-7(11)2-3-8(9)10(14)15/h2-3,6,12-13H,4-5,11H2,1H3,(H,14,15)
InChIKeyRJIPYBDHTTZOSR-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.14
Rot. Bonds7

About 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid

4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid (PubChem CID 114814171) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
PubChem CID114814171
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
SMILESCOCCNS(=O)(=O)Nc1cc(N)ccc1C(=O)O
InChIInChI=1S/C10H15N3O5S/c1-18-5-4-12-19(16,17)13-9-6-7(11)2-3-8(9)10(14)15/h2-3,6,12-13H,4-5,11H2,1H3,(H,14,15)
InChIKeyRJIPYBDHTTZOSR-UHFFFAOYSA-N
XLogP-0.14
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
4-chloro-2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815307
4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
2-N-(2-methoxyethylsulfamoyl)pyridine-2,5-diamine
CID 114814034
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
4-bromo-2-(propylsulfamoylamino)benzoic acid
CID 114805702
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185
4-amino-2-(difluoromethylsulfonylamino)benzoic acid
CID 63116164
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid?
The IUPAC name of 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid (CID 114814171) is 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid?
The canonical SMILES for 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid is COCCNS(=O)(=O)Nc1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid?
The InChIKey is RJIPYBDHTTZOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-18-5-4-12-19(16,17)13-9-6-7(11)2-3-8(9)10(14)15/h2-3,6,12-13H,4-5,11H2,1H3,(H,14,15).
What are the key properties of 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid?
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114814171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).