1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one

C17H13NO3S — CID 134906653

IUPAC1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one
SMILESO=C1CCc2cc3ccn(S(=O)(=O)c4ccccc4)c3cc21
InChIInChI=1S/C17H13NO3S/c19-17-7-6-12-10-13-8-9-18(16(13)11-15(12)17)22(20,21)14-4-2-1-3-5-14/h1-5,8-11H,6-7H2
InChIKeyYDGYBMQKCXBHEB-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.01
Rot. Bonds2

About 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one

1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one (PubChem CID 134906653) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one
PubChem CID134906653
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one
SMILESO=C1CCc2cc3ccn(S(=O)(=O)c4ccccc4)c3cc21
InChIInChI=1S/C17H13NO3S/c19-17-7-6-12-10-13-8-9-18(16(13)11-15(12)17)22(20,21)14-4-2-1-3-5-14/h1-5,8-11H,6-7H2
InChIKeyYDGYBMQKCXBHEB-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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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one?
The IUPAC name of 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one (CID 134906653) is 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one.
What is the SMILES notation for 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one?
The canonical SMILES for 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one is O=C1CCc2cc3ccn(S(=O)(=O)c4ccccc4)c3cc21.
What is the InChIKey of 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one?
The InChIKey is YDGYBMQKCXBHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-17-7-6-12-10-13-8-9-18(16(13)11-15(12)17)22(20,21)14-4-2-1-3-5-14/h1-5,8-11H,6-7H2.
What are the key properties of 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one?
1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-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 1-(benzenesulfonyl)-5,6-dihydrocyclopenta[f]indol-7-one is sourced from PubChem (CID 134906653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).