1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]

C22H21NO2S — CID 166661294

IUPAC1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]
SMILESCc1ccc(S(=O)(=O)n2ccc3c2-c2ccccc2C32CCCC2)cc1
InChIInChI=1S/C22H21NO2S/c1-16-8-10-17(11-9-16)26(24,25)23-15-12-20-21(23)18-6-2-3-7-19(18)22(20)13-4-5-14-22/h2-3,6-12,15H,4-5,13-14H2,1H3
InChIKeyOXUUQLFAERTWHH-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.87
Rot. Bonds2

About 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]

1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole] (PubChem CID 166661294) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole].

Molecular Properties

Compound Name1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]
PubChem CID166661294
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]
SMILESCc1ccc(S(=O)(=O)n2ccc3c2-c2ccccc2C32CCCC2)cc1
InChIInChI=1S/C22H21NO2S/c1-16-8-10-17(11-9-16)26(24,25)23-15-12-20-21(23)18-6-2-3-7-19(18)22(20)13-4-5-14-22/h2-3,6-12,15H,4-5,13-14H2,1H3
InChIKeyOXUUQLFAERTWHH-UHFFFAOYSA-N
XLogP4.87
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 134927022
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
(1R,5S,12R,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511083
(1R,5R,12S,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511082
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
1,6-dimethyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.2.0]octane
CID 90482026
3-(4-methylphenyl)sulfonyl-7,8,16,17-tetraoxa-3-azadispiro[5.2.69.26]heptadecane
CID 171355643
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244
2-[(4aR,9aS)-9-(4-methylphenyl)sulfonyl-2,3,4,9a-tetrahydro-1H-carbazol-4a-yl]acetonitrile
CID 135034849
1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole
CID 134950379

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]?
The IUPAC name of 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole] (CID 166661294) is 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole].
What is the SMILES notation for 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]?
The canonical SMILES for 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole] is Cc1ccc(S(=O)(=O)n2ccc3c2-c2ccccc2C32CCCC2)cc1.
What is the InChIKey of 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]?
The InChIKey is OXUUQLFAERTWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-8-10-17(11-9-16)26(24,25)23-15-12-20-21(23)18-6-2-3-7-19(18)22(20)13-4-5-14-22/h2-3,6-12,15H,4-5,13-14H2,1H3.
What are the key properties of 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole]?
1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole] has a molecular weight of 363.48 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methylphenyl)sulfonylspiro[cyclopentane-1,4'-indeno[1,2-b]pyrrole] is sourced from PubChem (CID 166661294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).