2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

C12H11IN2O4S2 — CID 103600269

IUPAC2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(I)ccc2O)s1
InChIInChI=1S/C12H11IN2O4S2/c13-7-1-3-10(16)9(5-7)12(17)15-6-8-2-4-11(20-8)21(14,18)19/h1-5,16H,6H2,(H,15,17)(H2,14,18,19)
InChIKeyPGRGRVARBZBECF-UHFFFAOYSA-N
MW438.27 g/mol
LogP1.64
Rot. Bonds4

About 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (PubChem CID 103600269) has the molecular formula C12H11IN2O4S2 and a molecular weight of 438.27 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
PubChem CID103600269
Molecular FormulaC12H11IN2O4S2
Molecular Weight438.27 g/mol
Exact Mass437.92
IUPAC Name2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(I)ccc2O)s1
InChIInChI=1S/C12H11IN2O4S2/c13-7-1-3-10(16)9(5-7)12(17)15-6-8-2-4-11(20-8)21(14,18)19/h1-5,16H,6H2,(H,15,17)(H2,14,18,19)
InChIKeyPGRGRVARBZBECF-UHFFFAOYSA-N
XLogP1.64
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 62662253
4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242545
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 32741753
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453
2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 113222923
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
2-(phenoxymethyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 24645763

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (CID 103600269) is 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(I)ccc2O)s1.
What is the InChIKey of 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The InChIKey is PGRGRVARBZBECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O4S2/c13-7-1-3-10(16)9(5-7)12(17)15-6-8-2-4-11(20-8)21(14,18)19/h1-5,16H,6H2,(H,15,17)(H2,14,18,19).
What are the key properties of 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide has a molecular weight of 438.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 103600269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).