4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole

C18H17NO3S — CID 68716584

IUPAC4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole
SMILESC=Cc1cccc2c1ccn2S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C18H17NO3S/c1-4-14-6-5-7-16-15(14)10-11-19(16)23(20,21)18-12-13(2)8-9-17(18)22-3/h4-12H,1H2,2-3H3
InChIKeyBLSMSRFDOCLYNS-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.84
Rot. Bonds4

About 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole

4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole (PubChem CID 68716584) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole
PubChem CID68716584
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole
SMILESC=Cc1cccc2c1ccn2S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C18H17NO3S/c1-4-14-6-5-7-16-15(14)10-11-19(16)23(20,21)18-12-13(2)8-9-17(18)22-3/h4-12H,1H2,2-3H3
InChIKeyBLSMSRFDOCLYNS-UHFFFAOYSA-N
XLogP3.84
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methoxy-1-(2-methoxy-5-methylphenyl)sulfonylindol-4-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
CID 68715104
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine
CID 89415724
3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331622
8-(2-methoxy-4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrrolo[3,2-g][1,4]benzoxazepine
CID 25057591
4-ethenyl-5-(3-isocyanophenoxy)-1-(4-methylphenyl)sulfonylindole
CID 171771328
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
(1S)-2-(2-methoxy-5-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 8796372
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole?
The IUPAC name of 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole (CID 68716584) is 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole.
What is the SMILES notation for 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole?
The canonical SMILES for 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole is C=Cc1cccc2c1ccn2S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole?
The InChIKey is BLSMSRFDOCLYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-4-14-6-5-7-16-15(14)10-11-19(16)23(20,21)18-12-13(2)8-9-17(18)22-3/h4-12H,1H2,2-3H3.
What are the key properties of 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole?
4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole has a molecular weight of 327.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-methoxy-5-methylphenyl)sulfonylindole is sourced from PubChem (CID 68716584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).