5-(dimethylsulfamoyl)-2-hydroxybenzoic acid

C9H11NO5S — CID 14490070

IUPAC5-(dimethylsulfamoyl)-2-hydroxybenzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H11NO5S/c1-10(2)16(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,11H,1-2H3,(H,12,13)
InChIKeyYPWWYONXTGDMTK-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.34
Rot. Bonds3

About 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid

5-(dimethylsulfamoyl)-2-hydroxybenzoic acid (PubChem CID 14490070) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-hydroxybenzoic acid
PubChem CID14490070
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name5-(dimethylsulfamoyl)-2-hydroxybenzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H11NO5S/c1-10(2)16(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,11H,1-2H3,(H,12,13)
InChIKeyYPWWYONXTGDMTK-UHFFFAOYSA-N
XLogP0.34
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid (CID 14490070) is 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid is CN(C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid?
The InChIKey is YPWWYONXTGDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-10(2)16(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,11H,1-2H3,(H,12,13).
What are the key properties of 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid?
5-(dimethylsulfamoyl)-2-hydroxybenzoic acid has a molecular weight of 245.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 14490070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).