4-(oxolan-3-ylsulfamoylmethyl)benzoic acid

C12H15NO5S — CID 80716794

IUPAC4-(oxolan-3-ylsulfamoylmethyl)benzoic acid
SMILESO=C(O)c1ccc(CS(=O)(=O)NC2CCOC2)cc1
InChIInChI=1S/C12H15NO5S/c14-12(15)10-3-1-9(2-4-10)8-19(16,17)13-11-5-6-18-7-11/h1-4,11,13H,5-8H2,(H,14,15)
InChIKeyOPXJAETUGXVDAC-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.59
Rot. Bonds5

About 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid

4-(oxolan-3-ylsulfamoylmethyl)benzoic acid (PubChem CID 80716794) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid.

Molecular Properties

Compound Name4-(oxolan-3-ylsulfamoylmethyl)benzoic acid
PubChem CID80716794
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name4-(oxolan-3-ylsulfamoylmethyl)benzoic acid
SMILESO=C(O)c1ccc(CS(=O)(=O)NC2CCOC2)cc1
InChIInChI=1S/C12H15NO5S/c14-12(15)10-3-1-9(2-4-10)8-19(16,17)13-11-5-6-18-7-11/h1-4,11,13H,5-8H2,(H,14,15)
InChIKeyOPXJAETUGXVDAC-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(oxan-4-ylamino)methyl]benzoic acid
CID 55049124
4-bromo-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716502
4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid
CID 79351658
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide
CID 80713021
2-[(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxan-3-yl]oxyacetic acid
CID 91774935
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80716496
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
2-(oxolan-3-ylsulfamoylmethyl)benzenecarbothioamide
CID 80714277
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 31817470
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid?
The IUPAC name of 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid (CID 80716794) is 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid.
What is the SMILES notation for 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid?
The canonical SMILES for 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid is O=C(O)c1ccc(CS(=O)(=O)NC2CCOC2)cc1.
What is the InChIKey of 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid?
The InChIKey is OPXJAETUGXVDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-12(15)10-3-1-9(2-4-10)8-19(16,17)13-11-5-6-18-7-11/h1-4,11,13H,5-8H2,(H,14,15).
What are the key properties of 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid?
4-(oxolan-3-ylsulfamoylmethyl)benzoic acid has a molecular weight of 285.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylsulfamoylmethyl)benzoic acid is sourced from PubChem (CID 80716794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).