5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide

C19H24INO2S — CID 173351588

IUPAC5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide
SMILESCCN1c2ccc(S(=O)(=O)c3ccccc3)cc2C(C)(C)C1C.I
InChIInChI=1S/C19H23NO2S.HI/c1-5-20-14(2)19(3,4)17-13-16(11-12-18(17)20)23(21,22)15-9-7-6-8-10-15;/h6-14H,5H2,1-4H3;1H
InChIKeyOHHUMSBUDGKVNU-UHFFFAOYSA-N
MW457.38 g/mol
LogP4.64
Rot. Bonds3

About 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide

5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide (PubChem CID 173351588) has the molecular formula C19H24INO2S and a molecular weight of 457.38 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide
PubChem CID173351588
Molecular FormulaC19H24INO2S
Molecular Weight457.38 g/mol
Exact Mass457.06
IUPAC Name5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide
SMILESCCN1c2ccc(S(=O)(=O)c3ccccc3)cc2C(C)(C)C1C.I
InChIInChI=1S/C19H23NO2S.HI/c1-5-20-14(2)19(3,4)17-13-16(11-12-18(17)20)23(21,22)15-9-7-6-8-10-15;/h6-14H,5H2,1-4H3;1H
InChIKeyOHHUMSBUDGKVNU-UHFFFAOYSA-N
XLogP4.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide 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-Methyl-1-[(4-methylphenyl)sulfonyl]-5-indolinesulfonamide
CID 2975802
2,3-Dimethyl-1-(phenylsulfonyl)indoline
CID 252020
2-Methyl-1-{[4-(methylthio)phenyl]sulfonyl}indoline
CID 2944511
N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide
CID 4876164
1-(Phenylsulfonyl)-2-methylindoline
CID 2985032
2-Methyl-1-[(4-methylphenyl)sulfonyl]indoline
CID 4205010
1-(4-Tert-butylphenyl)sulfonyl-2,3-dihydroindole
CID 2163081
(2E)-3,3-dimethyl-2-[(2E,4E,6E)-4-methylocta-2,4,6-trienylidene]-1-(2-sulfonatoethyl)indole-5-sulfonate
CID 44629459
5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride
CID 3040671
5-(Methanesulfonyl)-2,3-dihydro-1H-indole
CID 2736136
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide
CID 15990781
1-(4-Tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750552

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide?
The IUPAC name of 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide (CID 173351588) is 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide.
What is the SMILES notation for 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide?
The canonical SMILES for 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide is CCN1c2ccc(S(=O)(=O)c3ccccc3)cc2C(C)(C)C1C.I.
What is the InChIKey of 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide?
The InChIKey is OHHUMSBUDGKVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S.HI/c1-5-20-14(2)19(3,4)17-13-16(11-12-18(17)20)23(21,22)15-9-7-6-8-10-15;/h6-14H,5H2,1-4H3;1H.
What are the key properties of 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide?
5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide has a molecular weight of 457.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide is sourced from PubChem (CID 173351588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).