4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid

C10H14N2O5S — CID 102930878

IUPAC4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
SMILESCN(CCO)S(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C10H14N2O5S/c1-12(4-5-13)18(16,17)9-6-7(11)2-3-8(9)10(14)15/h2-3,6,13H,4-5,11H2,1H3,(H,14,15)
InChIKeyVSQWIFVUJZKAJN-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.42
Rot. Bonds5

About 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid

4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid (PubChem CID 102930878) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
PubChem CID102930878
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
SMILESCN(CCO)S(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C10H14N2O5S/c1-12(4-5-13)18(16,17)9-6-7(11)2-3-8(9)10(14)15/h2-3,6,13H,4-5,11H2,1H3,(H,14,15)
InChIKeyVSQWIFVUJZKAJN-UHFFFAOYSA-N
XLogP-0.42
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 102931253
4-amino-2-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102931062
4-amino-2-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 102931570
4-amino-2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 102931220
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 102930942
4-amino-2-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 102930944
4-amino-2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 102931122
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 102931550
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962355

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid (CID 102930878) is 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid is CN(CCO)S(=O)(=O)c1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is VSQWIFVUJZKAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-12(4-5-13)18(16,17)9-6-7(11)2-3-8(9)10(14)15/h2-3,6,13H,4-5,11H2,1H3,(H,14,15).
What are the key properties of 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid?
4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 274.30 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 102930878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).