5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid

C10H12INO4S — CID 103962258

IUPAC5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
SMILESCCN(C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C10H12INO4S/c1-3-12(2)17(15,16)7-4-5-9(11)8(6-7)10(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyOOSAXUJPCBJSAA-UHFFFAOYSA-N
MW369.18 g/mol
LogP1.63
Rot. Bonds4

About 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid

5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid (PubChem CID 103962258) has the molecular formula C10H12INO4S and a molecular weight of 369.18 g/mol. Its IUPAC name is 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid.

Molecular Properties

Compound Name5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
PubChem CID103962258
Molecular FormulaC10H12INO4S
Molecular Weight369.18 g/mol
Exact Mass368.95
IUPAC Name5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
SMILESCCN(C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C10H12INO4S/c1-3-12(2)17(15,16)7-4-5-9(11)8(6-7)10(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyOOSAXUJPCBJSAA-UHFFFAOYSA-N
XLogP1.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid 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

5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962355
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
5-[ethyl(propan-2-yl)sulfamoyl]-2-iodobenzoic acid
CID 113359349
2-iodo-5-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoic acid
CID 103962359
5-fluorosulfonyl-2-iodobenzoic acid
CID 166000203
2-iodo-5-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 103962419
2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide
CID 55775467
2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid
CID 155444287
2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid?
The IUPAC name of 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid (CID 103962258) is 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid.
What is the SMILES notation for 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid?
The canonical SMILES for 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid is CCN(C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1.
What is the InChIKey of 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid?
The InChIKey is OOSAXUJPCBJSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO4S/c1-3-12(2)17(15,16)7-4-5-9(11)8(6-7)10(13)14/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid?
5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid has a molecular weight of 369.18 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid is sourced from PubChem (CID 103962258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).