2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid

C11H12INO5S — CID 103962619

IUPAC2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCOC2)ccc1I
InChIInChI=1S/C11H12INO5S/c12-10-2-1-8(5-9(10)11(14)15)19(16,17)13-7-3-4-18-6-7/h1-2,5,7,13H,3-4,6H2,(H,14,15)
InChIKeyWUHKMDUINNWTNA-UHFFFAOYSA-N
MW397.19 g/mol
LogP1.06
Rot. Bonds4

About 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid

2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid (PubChem CID 103962619) has the molecular formula C11H12INO5S and a molecular weight of 397.19 g/mol. Its IUPAC name is 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid
PubChem CID103962619
Molecular FormulaC11H12INO5S
Molecular Weight397.19 g/mol
Exact Mass396.95
IUPAC Name2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCOC2)ccc1I
InChIInChI=1S/C11H12INO5S/c12-10-2-1-8(5-9(10)11(14)15)19(16,17)13-7-3-4-18-6-7/h1-2,5,7,13H,3-4,6H2,(H,14,15)
InChIKeyWUHKMDUINNWTNA-UHFFFAOYSA-N
XLogP1.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-5-(oxan-4-ylsulfamoyl)benzoic acid
CID 103962332
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
2-iodo-5-[(1-methylpiperidin-3-yl)sulfamoyl]benzoic acid
CID 103962394
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid
CID 107090176
2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716887
5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962627
5-[(2-cyanocyclopentyl)sulfamoyl]-2-iodobenzoic acid
CID 103962487

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid (CID 103962619) is 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NC2CCOC2)ccc1I.
What is the InChIKey of 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid?
The InChIKey is WUHKMDUINNWTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO5S/c12-10-2-1-8(5-9(10)11(14)15)19(16,17)13-7-3-4-18-6-7/h1-2,5,7,13H,3-4,6H2,(H,14,15).
What are the key properties of 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid?
2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid has a molecular weight of 397.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 103962619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).