7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]

C20H21NO4S — CID 102521195

IUPAC7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc4c(c3C2)OC2(CCCO2)C4)cc1
InChIInChI=1S/C20H21NO4S/c1-14-3-7-17(8-4-14)26(22,23)21-12-16-6-5-15-11-20(9-2-10-24-20)25-19(15)18(16)13-21/h3-8H,2,9-13H2,1H3
InChIKeyKXNQNHJGACFNPN-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.14
Rot. Bonds2

About 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]

7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane] (PubChem CID 102521195) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane].

Molecular Properties

Compound Name7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]
PubChem CID102521195
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc4c(c3C2)OC2(CCCO2)C4)cc1
InChIInChI=1S/C20H21NO4S/c1-14-3-7-17(8-4-14)26(22,23)21-12-16-6-5-15-11-20(9-2-10-24-20)25-19(15)18(16)13-21/h3-8H,2,9-13H2,1H3
InChIKeyKXNQNHJGACFNPN-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane] with MolForge

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Related Compounds

5-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 11289669
2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol
CID 24756122
3-(4-methylphenyl)sulfonyl-7,8,16,17-tetraoxa-3-azadispiro[5.2.69.26]heptadecane
CID 171355643
4-bromo-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 15167897
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11382924
14,14-dimethyl-3,9-bis-(4-methylphenyl)sulfonyl-13,15-dioxa-3,9,19-triazatricyclo[9.6.2.012,17]nonadeca-1(18),11(19),12(17)-triene
CID 12903873
2-[4-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]ethanol
CID 101081797
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11268113
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]?
The IUPAC name of 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane] (CID 102521195) is 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane].
What is the SMILES notation for 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]?
The canonical SMILES for 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane] is Cc1ccc(S(=O)(=O)N2Cc3ccc4c(c3C2)OC2(CCCO2)C4)cc1.
What is the InChIKey of 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]?
The InChIKey is KXNQNHJGACFNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-14-3-7-17(8-4-14)26(22,23)21-12-16-6-5-15-11-20(9-2-10-24-20)25-19(15)18(16)13-21/h3-8H,2,9-13H2,1H3.
What are the key properties of 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]?
7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane] has a molecular weight of 371.46 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane] is sourced from PubChem (CID 102521195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).