1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole

C22H20ClNO2S2 — CID 10410409

IUPAC1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole
SMILESCCC1=CCC(Sc2ccc(Cl)cc2)c2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20ClNO2S2/c1-2-16-8-13-21(27-18-11-9-17(23)10-12-18)22-20(16)14-15-24(22)28(25,26)19-6-4-3-5-7-19/h3-12,14-15,21H,2,13H2,1H3
InChIKeyBGNLTXAHPRQHRW-UHFFFAOYSA-N
MW429.99 g/mol
LogP6.41
Rot. Bonds5

About 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole

1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole (PubChem CID 10410409) has the molecular formula C22H20ClNO2S2 and a molecular weight of 429.99 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole
PubChem CID10410409
Molecular FormulaC22H20ClNO2S2
Molecular Weight429.99 g/mol
Exact Mass429.06
IUPAC Name1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole
SMILESCCC1=CCC(Sc2ccc(Cl)cc2)c2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20ClNO2S2/c1-2-16-8-13-21(27-18-11-9-17(23)10-12-18)22-20(16)14-15-24(22)28(25,26)19-6-4-3-5-7-19/h3-12,14-15,21H,2,13H2,1H3
InChIKeyBGNLTXAHPRQHRW-UHFFFAOYSA-N
XLogP6.41
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.99
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydro-5H-indol-4-ol
CID 10456297
1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one
CID 10478014
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(4-chlorophenyl)sulfonylindole
CID 4689237
4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-(4-chlorophenyl)sulfanylbutanoyl chloride
CID 11091685
(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one
CID 59342378
1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one
CID 13437713
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387320
(2R,3R)-1-(benzenesulfonyl)-2,3-diethylaziridine
CID 165347301
(2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 2320261

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole (CID 10410409) is 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole is CCC1=CCC(Sc2ccc(Cl)cc2)c2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole?
The InChIKey is BGNLTXAHPRQHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2S2/c1-2-16-8-13-21(27-18-11-9-17(23)10-12-18)22-20(16)14-15-24(22)28(25,26)19-6-4-3-5-7-19/h3-12,14-15,21H,2,13H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole?
1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole has a molecular weight of 429.99 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole is sourced from PubChem (CID 10410409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).