5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid

C14H18INO4S — CID 103962627

IUPAC5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(I)c(C(=O)O)c1)C1CCCC1
InChIInChI=1S/C14H18INO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyUXKIIHFMVSSYFE-VIFPVBQESA-N
MW423.27 g/mol
LogP2.85
Rot. Bonds5

About 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid

5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid (PubChem CID 103962627) has the molecular formula C14H18INO4S and a molecular weight of 423.27 g/mol. Its IUPAC name is 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid.

Molecular Properties

Compound Name5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
PubChem CID103962627
Molecular FormulaC14H18INO4S
Molecular Weight423.27 g/mol
Exact Mass423.00
IUPAC Name5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(I)c(C(=O)O)c1)C1CCCC1
InChIInChI=1S/C14H18INO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyUXKIIHFMVSSYFE-VIFPVBQESA-N
XLogP2.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[(1S)-1-cyclopentylethyl]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

2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
2-iodo-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 103962339
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
5-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]-2-iodobenzoic acid
CID 106348559
2-iodo-5-[(1-methylpiperidin-3-yl)sulfamoyl]benzoic acid
CID 103962394
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
2-iodo-5-(oxan-4-ylsulfamoyl)benzoic acid
CID 103962332
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid?
The IUPAC name of 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid (CID 103962627) is 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid.
What is the SMILES notation for 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid?
The canonical SMILES for 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid is C[C@H](NS(=O)(=O)c1ccc(I)c(C(=O)O)c1)C1CCCC1.
What is the InChIKey of 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid?
The InChIKey is UXKIIHFMVSSYFE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18INO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid?
5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid has a molecular weight of 423.27 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid is sourced from PubChem (CID 103962627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).