3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one

C18H15NO3S — CID 142413211

IUPAC3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c4c(ccc32)C(=O)CC4)cc1
InChIInChI=1S/C18H15NO3S/c1-12-2-4-13(5-3-12)23(21,22)19-11-10-15-14-7-9-18(20)16(14)6-8-17(15)19/h2-6,8,10-11H,7,9H2,1H3
InChIKeyCDXFXWVFNBIDFS-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.32
Rot. Bonds2

About 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one

3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one (PubChem CID 142413211) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one
PubChem CID142413211
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c4c(ccc32)C(=O)CC4)cc1
InChIInChI=1S/C18H15NO3S/c1-12-2-4-13(5-3-12)23(21,22)19-11-10-15-14-7-9-18(20)16(14)6-8-17(15)19/h2-6,8,10-11H,7,9H2,1H3
InChIKeyCDXFXWVFNBIDFS-UHFFFAOYSA-N
XLogP3.32
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one (CID 142413211) is 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one is Cc1ccc(S(=O)(=O)n2ccc3c4c(ccc32)C(=O)CC4)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one?
The InChIKey is CDXFXWVFNBIDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-12-2-4-13(5-3-12)23(21,22)19-11-10-15-14-7-9-18(20)16(14)6-8-17(15)19/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one?
3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one has a molecular weight of 325.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-7,8-dihydrocyclopenta[e]indol-6-one is sourced from PubChem (CID 142413211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).