2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide

C11H14INO4S — CID 113226265

IUPAC2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
SMILESCS(=O)(=O)CCCNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C11H14INO4S/c1-18(16,17)6-2-5-13-11(15)9-7-8(12)3-4-10(9)14/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyUBBAHNXTCSCASW-UHFFFAOYSA-N
MW383.21 g/mol
LogP1.16
Rot. Bonds5

About 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide

2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide (PubChem CID 113226265) has the molecular formula C11H14INO4S and a molecular weight of 383.21 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
PubChem CID113226265
Molecular FormulaC11H14INO4S
Molecular Weight383.21 g/mol
Exact Mass382.97
IUPAC Name2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
SMILESCS(=O)(=O)CCCNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C11H14INO4S/c1-18(16,17)6-2-5-13-11(15)9-7-8(12)3-4-10(9)14/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyUBBAHNXTCSCASW-UHFFFAOYSA-N
XLogP1.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)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

4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 113246125
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
N-(3-cyclopentylpropyl)-2-hydroxy-5-iodobenzamide
CID 106011699
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103725448
2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 103604687
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 78949717
4-(3-methylsulfonylpropylcarbamoyl)phthalic acid
CID 20769742

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide (CID 113226265) is 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide is CS(=O)(=O)CCCNC(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide?
The InChIKey is UBBAHNXTCSCASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO4S/c1-18(16,17)6-2-5-13-11(15)9-7-8(12)3-4-10(9)14/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide?
2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide has a molecular weight of 383.21 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 113226265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).