methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate

C10H14N2O5S — CID 102930876

IUPACmethyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(N)cc1S(=O)(=O)NCCO
InChIInChI=1S/C10H14N2O5S/c1-17-10(14)8-3-2-7(11)6-9(8)18(15,16)12-4-5-13/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeySUNADUDQJHEVND-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.67
Rot. Bonds5

About methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate

methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate (PubChem CID 102930876) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate
PubChem CID102930876
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Namemethyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(N)cc1S(=O)(=O)NCCO
InChIInChI=1S/C10H14N2O5S/c1-17-10(14)8-3-2-7(11)6-9(8)18(15,16)12-4-5-13/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeySUNADUDQJHEVND-UHFFFAOYSA-N
XLogP-0.67
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-2-(2-sulfamoylethylsulfamoyl)benzoate
CID 102930963
methyl 2-(2-acetamidoethylsulfamoyl)-4-aminobenzoate
CID 102930965
methyl 4-amino-2-[(4-amino-4-oxobutyl)sulfamoyl]benzoate
CID 102931018
methyl 4-amino-2-(2-methylpropylsulfamoyl)benzoate
CID 102930746
methyl 4-amino-2-(3-ethoxypropylsulfamoyl)benzoate
CID 102930814
methyl 4-amino-2-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]benzoate
CID 102931641
methyl 4-amino-2-[(3-methoxy-2-methylpropyl)sulfamoyl]benzoate
CID 102931175
methyl 5-amino-2-(propylsulfamoyl)benzoate
CID 113402800
methyl 4-amino-2-(2-methylsulfinylpropylsulfamoyl)benzoate
CID 102931650
methyl 4-amino-2-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoate
CID 102931236
methyl 4-amino-2-(1,3-thiazol-4-ylmethylsulfamoyl)benzoate
CID 102931258
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate?
The IUPAC name of methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate (CID 102930876) is methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate is COC(=O)c1ccc(N)cc1S(=O)(=O)NCCO.
What is the InChIKey of methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate?
The InChIKey is SUNADUDQJHEVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-17-10(14)8-3-2-7(11)6-9(8)18(15,16)12-4-5-13/h2-3,6,12-13H,4-5,11H2,1H3.
What are the key properties of methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate?
methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate has a molecular weight of 274.30 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate is sourced from PubChem (CID 102930876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).