5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole

C21H19NO2S — CID 134963234

IUPAC5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(C4=CC5CC5C4)ccc32)cc1
InChIInChI=1S/C21H19NO2S/c1-14-2-5-20(6-3-14)25(23,24)22-9-8-16-10-15(4-7-21(16)22)17-11-18-13-19(18)12-17/h2-11,18-19H,12-13H2,1H3
InChIKeyNDANAWYXQNKUOQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.61
Rot. Bonds3

About 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole

5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole (PubChem CID 134963234) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole
PubChem CID134963234
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(C4=CC5CC5C4)ccc32)cc1
InChIInChI=1S/C21H19NO2S/c1-14-2-5-20(6-3-14)25(23,24)22-9-8-16-10-15(4-7-21(16)22)17-11-18-13-19(18)12-17/h2-11,18-19H,12-13H2,1H3
InChIKeyNDANAWYXQNKUOQ-UHFFFAOYSA-N
XLogP4.61
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
5-(3,3-dimethylbut-1-ynyl)-1-(4-methylphenyl)sulfonylindole
CID 175964877
3-[1-(4-methylphenyl)sulfonylindol-5-yl]oxolan-2-one
CID 102495136
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
1-(benzenesulfonyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylindole
CID 124563441
[4-[2,5-dimethoxy-4-[1-(4-methylphenyl)sulfonylindol-5-yl]phenyl]phenyl] methanesulfonate
CID 23539092
2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
CID 138685100
5-chloro-1-(4-methylphenyl)sulfonylindole;ethyl formate
CID 174618464
1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
CID 164547009
1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
CID 168637603

Frequently Asked Questions

What is the IUPAC name of 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole (CID 134963234) is 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3cc(C4=CC5CC5C4)ccc32)cc1.
What is the InChIKey of 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole?
The InChIKey is NDANAWYXQNKUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-14-2-5-20(6-3-14)25(23,24)22-9-8-16-10-15(4-7-21(16)22)17-11-18-13-19(18)12-17/h2-11,18-19H,12-13H2,1H3.
What are the key properties of 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole?
5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole has a molecular weight of 349.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 134963234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).