3-(oxolan-2-ylmethylsulfamoyl)benzoic acid

C12H15NO5S — CID 2952881

IUPAC3-(oxolan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C12H15NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1,3,5,7,10,13H,2,4,6,8H2,(H,14,15)
InChIKeySFOGRWODCWJHPB-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.84
Rot. Bonds5

About 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid

3-(oxolan-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 2952881) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfamoyl)benzoic acid
PubChem CID2952881
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name3-(oxolan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C12H15NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1,3,5,7,10,13H,2,4,6,8H2,(H,14,15)
InChIKeySFOGRWODCWJHPB-UHFFFAOYSA-N
XLogP0.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid (CID 2952881) is 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is SFOGRWODCWJHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1,3,5,7,10,13H,2,4,6,8H2,(H,14,15).
What are the key properties of 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
3-(oxolan-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 285.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2952881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).