1-(benzenesulfonyl)-3-iodo-2-methylindole

C15H12INO2S — CID 11538519

IUPAC1-(benzenesulfonyl)-3-iodo-2-methylindole
SMILESCc1c(I)c2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12INO2S/c1-11-15(16)13-9-5-6-10-14(13)17(11)20(18,19)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyYMEMBPJQNCHFMJ-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.79
Rot. Bonds2

About 1-(benzenesulfonyl)-3-iodo-2-methylindole

1-(benzenesulfonyl)-3-iodo-2-methylindole (PubChem CID 11538519) has the molecular formula C15H12INO2S and a molecular weight of 397.24 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-iodo-2-methylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-iodo-2-methylindole
PubChem CID11538519
Molecular FormulaC15H12INO2S
Molecular Weight397.24 g/mol
Exact Mass396.96
IUPAC Name1-(benzenesulfonyl)-3-iodo-2-methylindole
SMILESCc1c(I)c2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12INO2S/c1-11-15(16)13-9-5-6-10-14(13)17(11)20(18,19)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyYMEMBPJQNCHFMJ-UHFFFAOYSA-N
XLogP3.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)-3-iodo-2-methylindole 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

1-(benzenesulfonyl)-2-methylindole-3-carbonitrile
CID 139071665
1-(benzenesulfonyl)-2-ethenyl-3-methylindole
CID 53243035
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
1-(benzenesulfonyl)-3-bromo-2-methylindole;ethyl formate
CID 143275089
(E)-4-[1-(benzenesulfonyl)-3-methylindol-2-yl]but-3-en-2-one
CID 10427309
[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
CID 10452101
1-(benzenesulfonyl)-3-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]indole
CID 102127844
(2S)-2-[(R)-[1-(benzenesulfonyl)-2-methylindol-3-yl]-hydroxymethyl]cyclohexan-1-one
CID 102109918
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
3-iodo-1,2-dimethylindole
CID 19093282
1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylic acid
CID 87784362
CID 88904816
CID 88904816

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-iodo-2-methylindole?
The IUPAC name of 1-(benzenesulfonyl)-3-iodo-2-methylindole (CID 11538519) is 1-(benzenesulfonyl)-3-iodo-2-methylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-iodo-2-methylindole?
The canonical SMILES for 1-(benzenesulfonyl)-3-iodo-2-methylindole is Cc1c(I)c2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-iodo-2-methylindole?
The InChIKey is YMEMBPJQNCHFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO2S/c1-11-15(16)13-9-5-6-10-14(13)17(11)20(18,19)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-iodo-2-methylindole?
1-(benzenesulfonyl)-3-iodo-2-methylindole has a molecular weight of 397.24 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-iodo-2-methylindole is sourced from PubChem (CID 11538519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).