4-(oxolan-2-ylmethylsulfamoyl)benzoic acid

C12H15NO5S — CID 2856177

IUPAC4-(oxolan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C12H15NO5S/c14-12(15)9-3-5-11(6-4-9)19(16,17)13-8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H,14,15)
InChIKeyVGMULOZGMOSVOZ-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.84
Rot. Bonds5

About 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid

4-(oxolan-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 2856177) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfamoyl)benzoic acid
PubChem CID2856177
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name4-(oxolan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C12H15NO5S/c14-12(15)9-3-5-11(6-4-9)19(16,17)13-8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H,14,15)
InChIKeyVGMULOZGMOSVOZ-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

Analyze 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 763651
4-(Cyclopropylsulfamoyl)benzoic acid
CID 1134151
4-[(2,6-Dimethylmorpholin-4-yl)sulfonyl]benzoic acid
CID 2770973
4-Chloro-3-{[(oxolan-2-yl)methyl]sulfamoyl}benzoic acid
CID 3847495
4-(Morpholine-4-sulfonyl)benzoic acid
CID 559416
4-((Propan-2-yl)sulfamoyl)benzoic acid
CID 615021
2-(Propylsulfamoyl)benzoic acid
CID 21497848
2-(Butylsulfamoyl)benzoic acid
CID 21542156
2-(Pentylsulfamoyl)benzoic acid
CID 68602550
4-(Cyclohexylmethyl-sulfamoyl)-benzoic acid
CID 18524305
4-(Cyclohexylsulfamoyl)benzoic acid
CID 229357
3-{[(Oxolan-2-yl)methyl]sulfamoyl}benzoic acid
CID 2952881

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid (CID 2856177) is 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is VGMULOZGMOSVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-12(15)9-3-5-11(6-4-9)19(16,17)13-8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H,14,15).
What are the key properties of 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
4-(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 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2856177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).