3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one

C17H13NO3S — CID 142413272

IUPAC3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one
SMILESO=C1CCc2c1ccc1c2ccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H13NO3S/c19-17-9-7-13-14-10-11-18(16(14)8-6-15(13)17)22(20,21)12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2
InChIKeyMTCKEQHPHUPJBG-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.01
Rot. Bonds2

About 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one

3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one (PubChem CID 142413272) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one
PubChem CID142413272
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one
SMILESO=C1CCc2c1ccc1c2ccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H13NO3S/c19-17-9-7-13-14-10-11-18(16(14)8-6-15(13)17)22(20,21)12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2
InChIKeyMTCKEQHPHUPJBG-UHFFFAOYSA-N
XLogP3.01
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzenesulfonyl)furo[2,3-e]indol-3-one
CID 142413177
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
1-(benzenesulfonyl)-5-fluoro-4-iodoindole
CID 118537676
1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole
CID 71659596
1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one
CID 13437713
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510
1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde
CID 86618256
[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride
CID 68718223
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
[1-(benzenesulfonyl)indol-4-yl]oxyboronic acid
CID 142772203
3-[1-(benzenesulfonyl)indol-4-yl]-4-methylidene-1,3-thiazolidine-2,5-dione
CID 22439821
benzene-1,3-dicarboxylic acid;[1-(benzenesulfonyl)indol-4-yl]methanamine
CID 174572790

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one?
The IUPAC name of 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one (CID 142413272) is 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one?
The canonical SMILES for 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one is O=C1CCc2c1ccc1c2ccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one?
The InChIKey is MTCKEQHPHUPJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-17-9-7-13-14-10-11-18(16(14)8-6-15(13)17)22(20,21)12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2.
What are the key properties of 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one?
3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one has a molecular weight of 311.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one is sourced from PubChem (CID 142413272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).