[3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane

C16H20INO3SSi — CID 122203613

IUPAC[3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane
SMILESCc1ccc(S(=O)(=O)N2Cc3c(I)oc([Si](C)(C)C)c3C2)cc1
InChIInChI=1S/C16H20INO3SSi/c1-11-5-7-12(8-6-11)22(19,20)18-9-13-14(10-18)16(21-15(13)17)23(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyCHBBQDKBVPLITF-UHFFFAOYSA-N
MW461.40 g/mol
LogP3.44
Rot. Bonds3

About [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane

[3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane (PubChem CID 122203613) has the molecular formula C16H20INO3SSi and a molecular weight of 461.40 g/mol. Its IUPAC name is [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane
PubChem CID122203613
Molecular FormulaC16H20INO3SSi
Molecular Weight461.40 g/mol
Exact Mass461.00
IUPAC Name[3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane
SMILESCc1ccc(S(=O)(=O)N2Cc3c(I)oc([Si](C)(C)C)c3C2)cc1
InChIInChI=1S/C16H20INO3SSi/c1-11-5-7-12(8-6-11)22(19,20)18-9-13-14(10-18)16(21-15(13)17)23(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyCHBBQDKBVPLITF-UHFFFAOYSA-N
XLogP3.44
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 132990624
2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol
CID 24756122
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
4-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine
CID 102380568
4-iodo-2-(4-methylphenyl)sulfonyl-1,3-dihydrobenzo[f]isoindole
CID 102187535
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368
4-bromo-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 15167897
4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol
CID 25259017
5-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 11289669
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane?
The IUPAC name of [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane (CID 122203613) is [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane.
What is the SMILES notation for [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane?
The canonical SMILES for [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane is Cc1ccc(S(=O)(=O)N2Cc3c(I)oc([Si](C)(C)C)c3C2)cc1.
What is the InChIKey of [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane?
The InChIKey is CHBBQDKBVPLITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20INO3SSi/c1-11-5-7-12(8-6-11)22(19,20)18-9-13-14(10-18)16(21-15(13)17)23(2,3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane?
[3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane has a molecular weight of 461.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane is sourced from PubChem (CID 122203613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).