3-(oxolan-3-ylsulfamoyl)benzoic acid

C11H13NO5S — CID 80717368

IUPAC3-(oxolan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C11H13NO5S/c13-11(14)8-2-1-3-10(6-8)18(15,16)12-9-4-5-17-7-9/h1-3,6,9,12H,4-5,7H2,(H,13,14)
InChIKeyOOVRMGVZGUYBPH-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.45
Rot. Bonds4

About 3-(oxolan-3-ylsulfamoyl)benzoic acid

3-(oxolan-3-ylsulfamoyl)benzoic acid (PubChem CID 80717368) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-(oxolan-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(oxolan-3-ylsulfamoyl)benzoic acid
PubChem CID80717368
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name3-(oxolan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C11H13NO5S/c13-11(14)8-2-1-3-10(6-8)18(15,16)12-9-4-5-17-7-9/h1-3,6,9,12H,4-5,7H2,(H,13,14)
InChIKeyOOVRMGVZGUYBPH-UHFFFAOYSA-N
XLogP0.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80716496
2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 103962619
4-bromo-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716502
3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 97201095
N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 118396952
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 99930348
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 77086446

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-(oxolan-3-ylsulfamoyl)benzoic acid (CID 80717368) is 3-(oxolan-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(oxolan-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(oxolan-3-ylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)NC2CCOC2)c1.
What is the InChIKey of 3-(oxolan-3-ylsulfamoyl)benzoic acid?
The InChIKey is OOVRMGVZGUYBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c13-11(14)8-2-1-3-10(6-8)18(15,16)12-9-4-5-17-7-9/h1-3,6,9,12H,4-5,7H2,(H,13,14).
What are the key properties of 3-(oxolan-3-ylsulfamoyl)benzoic acid?
3-(oxolan-3-ylsulfamoyl)benzoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 80717368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).