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

C10H12INO5S — CID 103962355

IUPAC5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
SMILESCN(CCO)S(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C10H12INO5S/c1-12(4-5-13)18(16,17)7-2-3-9(11)8(6-7)10(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeySERNKQLADHTOGK-UHFFFAOYSA-N
MW385.18 g/mol
LogP0.60
Rot. Bonds5

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

5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid (PubChem CID 103962355) has the molecular formula C10H12INO5S and a molecular weight of 385.18 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid.

Molecular Properties

Compound Name5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
PubChem CID103962355
Molecular FormulaC10H12INO5S
Molecular Weight385.18 g/mol
Exact Mass384.95
IUPAC Name5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
SMILESCN(CCO)S(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C10H12INO5S/c1-12(4-5-13)18(16,17)7-2-3-9(11)8(6-7)10(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeySERNKQLADHTOGK-UHFFFAOYSA-N
XLogP0.60
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 50.60
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

5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962258
2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
5-[ethyl(propan-2-yl)sulfamoyl]-2-iodobenzoic acid
CID 113359349
2-iodo-5-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoic acid
CID 103962359
2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid
CID 81435612
5-fluorosulfonyl-2-iodobenzoic acid
CID 166000203
2-iodo-5-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 103962419
5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 102930878
2-chloro-5-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60951203
5-[3-(dimethylamino)propyl-methylsulfamoyl]-2-fluorobenzoic acid
CID 63693254

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid?
The IUPAC name of 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid (CID 103962355) is 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid.
What is the SMILES notation for 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid?
The canonical SMILES for 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid is CN(CCO)S(=O)(=O)c1ccc(I)c(C(=O)O)c1.
What is the InChIKey of 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid?
The InChIKey is SERNKQLADHTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO5S/c1-12(4-5-13)18(16,17)7-2-3-9(11)8(6-7)10(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid?
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid has a molecular weight of 385.18 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid is sourced from PubChem (CID 103962355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).