5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one

C16H15NO3S — CID 71697522

IUPAC5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)Cc3cc(C)ccc32)cc1
InChIInChI=1S/C16H15NO3S/c1-11-3-6-14(7-4-11)21(19,20)17-15-8-5-12(2)9-13(15)10-16(17)18/h3-9H,10H2,1-2H3
InChIKeyZISAAQKTSNGKJP-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.58
Rot. Bonds2

About 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one

5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one (PubChem CID 71697522) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
PubChem CID71697522
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)Cc3cc(C)ccc32)cc1
InChIInChI=1S/C16H15NO3S/c1-11-3-6-14(7-4-11)21(19,20)17-15-8-5-12(2)9-13(15)10-16(17)18/h3-9H,10H2,1-2H3
InChIKeyZISAAQKTSNGKJP-UHFFFAOYSA-N
XLogP2.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one?
The IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one (CID 71697522) is 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one is Cc1ccc(S(=O)(=O)N2C(=O)Cc3cc(C)ccc32)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one?
The InChIKey is ZISAAQKTSNGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-11-3-6-14(7-4-11)21(19,20)17-15-8-5-12(2)9-13(15)10-16(17)18/h3-9H,10H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one?
5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one is sourced from PubChem (CID 71697522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).