2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid

C11H14INO5S — CID 102695735

IUPAC2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid
SMILESCOC(C)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C11H14INO5S/c1-7(18-2)6-13-19(16,17)8-3-4-10(12)9(5-8)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyKZALEEIOVOOPMN-UHFFFAOYSA-N
MW399.21 g/mol
LogP1.30
Rot. Bonds6

About 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid

2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid (PubChem CID 102695735) has the molecular formula C11H14INO5S and a molecular weight of 399.21 g/mol. Its IUPAC name is 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid
PubChem CID102695735
Molecular FormulaC11H14INO5S
Molecular Weight399.21 g/mol
Exact Mass398.96
IUPAC Name2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid
SMILESCOC(C)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C11H14INO5S/c1-7(18-2)6-13-19(16,17)8-3-4-10(12)9(5-8)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyKZALEEIOVOOPMN-UHFFFAOYSA-N
XLogP1.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic 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-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
5-(3-hydroxybutylsulfamoyl)-2-iodobenzoic acid
CID 113359369
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
2-iodo-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 103962339
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701
5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962308
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
2-iodo-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 103962665
5-(5-hydroxypentylsulfamoyl)-2-iodobenzoic acid
CID 107316572
3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid
CID 102695591
5-(but-3-ynylsulfamoyl)-2-iodobenzoic acid
CID 103962532

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid?
The IUPAC name of 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid (CID 102695735) is 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid is COC(C)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1.
What is the InChIKey of 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid?
The InChIKey is KZALEEIOVOOPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO5S/c1-7(18-2)6-13-19(16,17)8-3-4-10(12)9(5-8)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid?
2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid has a molecular weight of 399.21 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid is sourced from PubChem (CID 102695735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).