4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid

C12H15NO5S — CID 796841

IUPAC4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)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)/t10-/m1/s1
InChIKeyVGMULOZGMOSVOZ-SNVBAGLBSA-N
MW285.32 g/mol
LogP0.84
Rot. Bonds5

About 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid

4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid (PubChem CID 796841) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
PubChem CID796841
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)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)/t10-/m1/s1
InChIKeyVGMULOZGMOSVOZ-SNVBAGLBSA-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-[[(2R)-oxolan-2-yl]methylsulfamoyl]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-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
1-[4-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341313
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The IUPAC name of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid (CID 796841) is 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The InChIKey is VGMULOZGMOSVOZ-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]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-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid is sourced from PubChem (CID 796841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).