1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one

C15H15NO3S — CID 1488053

IUPAC1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c2CCCC3=O)cc1
InChIInChI=1S/C15H15NO3S/c1-11-5-7-12(8-6-11)20(18,19)16-10-9-13-14(16)3-2-4-15(13)17/h5-10H,2-4H2,1H3
InChIKeyYODKWYHJKWMTAO-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.55
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one

1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one (PubChem CID 1488053) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one
PubChem CID1488053
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c2CCCC3=O)cc1
InChIInChI=1S/C15H15NO3S/c1-11-5-7-12(8-6-11)20(18,19)16-10-9-13-14(16)3-2-4-15(13)17/h5-10H,2-4H2,1H3
InChIKeyYODKWYHJKWMTAO-UHFFFAOYSA-N
XLogP2.55
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetyl-1-(phenylsulfonyl)pyrrole
CID 555792
1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde
CID 735817
1-(Phenylsulfonyl)-3-indolecarboxaldehyde
CID 363334
1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one
CID 2737787
(E)-3-(dimethylamino)-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-2-propen-1-one
CID 1481412
N,N-dimethyl-4-[(E)-3-pyridin-3-ylprop-2-enoyl]benzenesulfonamide
CID 16304783
1H-Indole, 3-acetyl-1-(phenylsulfonyl)-
CID 848535
[1-(phenylsulfonyl)-1H-indol-2-yl](2-pyridinyl)methanone
CID 986167
1-Methylsulfonyl-3-phenylindole-4,5-dione
CID 132251294
1-(Benzenesulfonyl)-3-phenylindole-4,5-dione
CID 132251303
N-[4-(4,5-dioxo-3-phenylindol-1-yl)sulfonylphenyl]acetamide
CID 137655418
1-(4-Fluorophenyl)sulfonyl-3-phenylindole-4,5-dione
CID 137659568

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one (CID 1488053) is 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one is Cc1ccc(S(=O)(=O)n2ccc3c2CCCC3=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is YODKWYHJKWMTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-5-7-12(8-6-11)20(18,19)16-10-9-13-14(16)3-2-4-15(13)17/h5-10H,2-4H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one?
1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 289.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 1488053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).