2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide

C11H12INO2S — CID 103711939

IUPAC2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1)c1cc(I)ccc1O
InChIInChI=1S/C11H12INO2S/c12-7-1-2-10(14)9(5-7)11(15)13-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H,13,15)
InChIKeyXKIVNUXFZRUURW-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.23
Rot. Bonds2

About 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide

2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide (PubChem CID 103711939) has the molecular formula C11H12INO2S and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide
PubChem CID103711939
Molecular FormulaC11H12INO2S
Molecular Weight349.19 g/mol
Exact Mass348.96
IUPAC Name2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1)c1cc(I)ccc1O
InChIInChI=1S/C11H12INO2S/c12-7-1-2-10(14)9(5-7)11(15)13-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H,13,15)
InChIKeyXKIVNUXFZRUURW-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide 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

2,5-dihydroxy-N-(thian-3-yl)benzamide
CID 107723796
2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107732166
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299
2-hydroxy-5-iodo-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103526859
2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104600964
N-(1,1-dioxothian-3-yl)-2-hydroxy-5-iodobenzamide
CID 103710763
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
N-(2-aminocyclopentyl)-2-hydroxy-5-iodobenzamide
CID 107732083
2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107731367
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide
CID 39826173
2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide
CID 103525566

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide (CID 103711939) is 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide is O=C(NC1CCSC1)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide?
The InChIKey is XKIVNUXFZRUURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2S/c12-7-1-2-10(14)9(5-7)11(15)13-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H,13,15).
What are the key properties of 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide?
2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide has a molecular weight of 349.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 103711939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).