ethyl 2-hydroxy-5-sulfamoylbenzoate

C9H11NO5S — CID 21312229

IUPACethyl 2-hydroxy-5-sulfamoylbenzoate
SMILESCCOC(=O)c1cc(S(N)(=O)=O)ccc1O
InChIInChI=1S/C9H11NO5S/c1-2-15-9(12)7-5-6(16(10,13)14)3-4-8(7)11/h3-5,11H,2H2,1H3,(H2,10,13,14)
InChIKeyWRERJIVGOVKTFI-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.22
Rot. Bonds3

About ethyl 2-hydroxy-5-sulfamoylbenzoate

ethyl 2-hydroxy-5-sulfamoylbenzoate (PubChem CID 21312229) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-sulfamoylbenzoate
PubChem CID21312229
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Nameethyl 2-hydroxy-5-sulfamoylbenzoate
SMILESCCOC(=O)c1cc(S(N)(=O)=O)ccc1O
InChIInChI=1S/C9H11NO5S/c1-2-15-9(12)7-5-6(16(10,13)14)3-4-8(7)11/h3-5,11H,2H2,1H3,(H2,10,13,14)
InChIKeyWRERJIVGOVKTFI-UHFFFAOYSA-N
XLogP0.22
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339
ethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 63840159
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
propyl 2-fluoro-5-sulfamoylbenzoate
CID 35544265
butyl 2-bromo-5-sulfamoylbenzoate
CID 60730717
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
sodium;2-ethoxycarbonyl-5-sulfobenzoic acid;hydride
CID 175079130
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5-sulfamoylbenzoate?
The IUPAC name of ethyl 2-hydroxy-5-sulfamoylbenzoate (CID 21312229) is ethyl 2-hydroxy-5-sulfamoylbenzoate.
What is the SMILES notation for ethyl 2-hydroxy-5-sulfamoylbenzoate?
The canonical SMILES for ethyl 2-hydroxy-5-sulfamoylbenzoate is CCOC(=O)c1cc(S(N)(=O)=O)ccc1O.
What is the InChIKey of ethyl 2-hydroxy-5-sulfamoylbenzoate?
The InChIKey is WRERJIVGOVKTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-2-15-9(12)7-5-6(16(10,13)14)3-4-8(7)11/h3-5,11H,2H2,1H3,(H2,10,13,14).
What are the key properties of ethyl 2-hydroxy-5-sulfamoylbenzoate?
ethyl 2-hydroxy-5-sulfamoylbenzoate has a molecular weight of 245.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-sulfamoylbenzoate is sourced from PubChem (CID 21312229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).