3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid

C10H13NO5S — CID 69458297

IUPAC3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid
SMILESCCC(O)c1cccc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C10H13NO5S/c1-2-8(12)6-4-3-5-7(10(13)14)9(6)17(11,15)16/h3-5,8,12H,2H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyIYNYDLQWNZRNTQ-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.48
Rot. Bonds4

About 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid

3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid (PubChem CID 69458297) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid
PubChem CID69458297
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid
SMILESCCC(O)c1cccc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C10H13NO5S/c1-2-8(12)6-4-3-5-7(10(13)14)9(6)17(11,15)16/h3-5,8,12H,2H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyIYNYDLQWNZRNTQ-UHFFFAOYSA-N
XLogP0.48
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid?
The IUPAC name of 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid (CID 69458297) is 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid.
What is the SMILES notation for 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid?
The canonical SMILES for 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid is CCC(O)c1cccc(C(=O)O)c1S(N)(=O)=O.
What is the InChIKey of 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid?
The InChIKey is IYNYDLQWNZRNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-2-8(12)6-4-3-5-7(10(13)14)9(6)17(11,15)16/h3-5,8,12H,2H2,1H3,(H,13,14)(H2,11,15,16).
What are the key properties of 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid?
3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid has a molecular weight of 259.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid is sourced from PubChem (CID 69458297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).