1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone

C19H19NO3S — CID 46871651

IUPAC1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone
SMILESCCc1ccc(S(=O)(=O)n2cc(C(C)=O)c3ccc(C)cc32)cc1
InChIInChI=1S/C19H19NO3S/c1-4-15-6-8-16(9-7-15)24(22,23)20-12-18(14(3)21)17-10-5-13(2)11-19(17)20/h5-12H,4H2,1-3H3
InChIKeyBSCLMKLYZJFJPX-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.95
Rot. Bonds4

About 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone

1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone (PubChem CID 46871651) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone
PubChem CID46871651
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone
SMILESCCc1ccc(S(=O)(=O)n2cc(C(C)=O)c3ccc(C)cc32)cc1
InChIInChI=1S/C19H19NO3S/c1-4-15-6-8-16(9-7-15)24(22,23)20-12-18(14(3)21)17-10-5-13(2)11-19(17)20/h5-12H,4H2,1-3H3
InChIKeyBSCLMKLYZJFJPX-UHFFFAOYSA-N
XLogP3.95
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone (CID 46871651) is 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone is CCc1ccc(S(=O)(=O)n2cc(C(C)=O)c3ccc(C)cc32)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone?
The InChIKey is BSCLMKLYZJFJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-4-15-6-8-16(9-7-15)24(22,23)20-12-18(14(3)21)17-10-5-13(2)11-19(17)20/h5-12H,4H2,1-3H3.
What are the key properties of 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone?
1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone has a molecular weight of 341.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)sulfonyl-6-methylindol-3-yl]ethanone is sourced from PubChem (CID 46871651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).