5-iodo-1-(4-methylphenyl)sulfonylindole

C15H12INO2S — CID 10872988

IUPAC5-iodo-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(I)ccc32)cc1
InChIInChI=1S/C15H12INO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3
InChIKeyULMSEXZJAKWUQX-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.79
Rot. Bonds2

About 5-iodo-1-(4-methylphenyl)sulfonylindole

5-iodo-1-(4-methylphenyl)sulfonylindole (PubChem CID 10872988) has the molecular formula C15H12INO2S and a molecular weight of 397.24 g/mol. Its IUPAC name is 5-iodo-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-iodo-1-(4-methylphenyl)sulfonylindole
PubChem CID10872988
Molecular FormulaC15H12INO2S
Molecular Weight397.24 g/mol
Exact Mass396.96
IUPAC Name5-iodo-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(I)ccc32)cc1
InChIInChI=1S/C15H12INO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3
InChIKeyULMSEXZJAKWUQX-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'}

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Related Compounds

5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
5-(3,3-dimethylbut-1-ynyl)-1-(4-methylphenyl)sulfonylindole
CID 175964877
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
CID 138685100
5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole
CID 134963234
5-chloro-1-(4-methylphenyl)sulfonylindole;ethyl formate
CID 174618464
1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
CID 168637603
3-[1-(4-methylphenyl)sulfonylindol-5-yl]oxolan-2-one
CID 102495136
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone
CID 12925074

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 5-iodo-1-(4-methylphenyl)sulfonylindole (CID 10872988) is 5-iodo-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 5-iodo-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 5-iodo-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3cc(I)ccc32)cc1.
What is the InChIKey of 5-iodo-1-(4-methylphenyl)sulfonylindole?
The InChIKey is ULMSEXZJAKWUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3.
What are the key properties of 5-iodo-1-(4-methylphenyl)sulfonylindole?
5-iodo-1-(4-methylphenyl)sulfonylindole 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 5-iodo-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 10872988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).