4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole

C21H21NO2S — CID 24874540

IUPAC4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole
SMILESC=CC1CCCc2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H21NO2S/c1-3-16-7-6-10-20-21(16)18-8-4-5-9-19(18)22(20)25(23,24)17-13-11-15(2)12-14-17/h3-5,8-9,11-14,16H,1,6-7,10H2,2H3
InChIKeyXXCVSZILKBRIPT-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.79
Rot. Bonds3

About 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole

4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 24874540) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole
PubChem CID24874540
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole
SMILESC=CC1CCCc2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H21NO2S/c1-3-16-7-6-10-20-21(16)18-8-4-5-9-19(18)22(20)25(23,24)17-13-11-15(2)12-14-17/h3-5,8-9,11-14,16H,1,6-7,10H2,2H3
InChIKeyXXCVSZILKBRIPT-UHFFFAOYSA-N
XLogP4.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,12R)-9-(4-methylphenyl)sulfonyl-9-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-15-one
CID 162413828
ethyl 5-(4-methylphenyl)sulfonyl-7,8-dihydro-6H-cyclohepta[b]indole-9-carboxylate
CID 102106611
3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
CID 139187424
2-[9-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydro-1H-carbazol-3-yl]acetonitrile
CID 139233286
4-[3-cyclohexyl-1-(4-methylphenyl)sulfonylindol-2-yl]butan-2-one
CID 73058213
2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
CID 138982150
7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione
CID 132577368
(4aR,11cR)-3,4a-dimethyl-7-(4-methylphenyl)sulfonyl-6,11c-dihydro-1H-chromeno[3,4-b]indol-2-one
CID 164682880
2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600980
2-(2-methylidenebutyl)-9-(4-methylphenyl)sulfonyl-1-prop-2-enyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 15953557
(12bR)-12-(4-methylphenyl)sulfonyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-2-one
CID 11418003
tert-butyl-[[(4R)-6-methoxy-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazol-4-yl]amino]-oxidosulfanium
CID 175117828

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole (CID 24874540) is 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole is C=CC1CCCc2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is XXCVSZILKBRIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-3-16-7-6-10-20-21(16)18-8-4-5-9-19(18)22(20)25(23,24)17-13-11-15(2)12-14-17/h3-5,8-9,11-14,16H,1,6-7,10H2,2H3.
What are the key properties of 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole?
4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 351.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 24874540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).