5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid

C16H15NO7S — CID 25037422

IUPAC5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H15NO7S/c1-2-24-16(21)10-3-5-11(6-4-10)17-25(22,23)12-7-8-14(18)13(9-12)15(19)20/h3-9,17-18H,2H2,1H3,(H,19,20)
InChIKeyWGFYOMLBWCGCHW-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.07
Rot. Bonds6

About 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid

5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 25037422) has the molecular formula C16H15NO7S and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID25037422
Molecular FormulaC16H15NO7S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC Name5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H15NO7S/c1-2-24-16(21)10-3-5-11(6-4-10)17-25(22,23)12-7-8-14(18)13(9-12)15(19)20/h3-9,17-18H,2H2,1H3,(H,19,20)
InChIKeyWGFYOMLBWCGCHW-UHFFFAOYSA-N
XLogP2.07
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
CID 72695676
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
2-[[4-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 55878671
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid (CID 25037422) is 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is WGFYOMLBWCGCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO7S/c1-2-24-16(21)10-3-5-11(6-4-10)17-25(22,23)12-7-8-14(18)13(9-12)15(19)20/h3-9,17-18H,2H2,1H3,(H,19,20).
What are the key properties of 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid?
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 365.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 25037422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).