5-(ethylsulfamoyl)-2-hydroxybenzoic acid

C9H11NO5S — CID 14490062

IUPAC5-(ethylsulfamoyl)-2-hydroxybenzoic acid
SMILESCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H11NO5S/c1-2-10-16(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,10-11H,2H2,1H3,(H,12,13)
InChIKeyXPXROYSSPJSSTN-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.39
Rot. Bonds4

About 5-(ethylsulfamoyl)-2-hydroxybenzoic acid

5-(ethylsulfamoyl)-2-hydroxybenzoic acid (PubChem CID 14490062) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-hydroxybenzoic acid
PubChem CID14490062
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name5-(ethylsulfamoyl)-2-hydroxybenzoic acid
SMILESCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H11NO5S/c1-2-10-16(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,10-11H,2H2,1H3,(H,12,13)
InChIKeyXPXROYSSPJSSTN-UHFFFAOYSA-N
XLogP0.39
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(ethylsulfamoyl)-2-hydroxybenzoic acid (CID 14490062) is 5-(ethylsulfamoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(ethylsulfamoyl)-2-hydroxybenzoic acid is CCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-hydroxybenzoic acid?
The InChIKey is XPXROYSSPJSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-2-10-16(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,10-11H,2H2,1H3,(H,12,13).
What are the key properties of 5-(ethylsulfamoyl)-2-hydroxybenzoic acid?
5-(ethylsulfamoyl)-2-hydroxybenzoic acid has a molecular weight of 245.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 14490062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).