4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one

C17H17NO3S — CID 71697524

IUPAC4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)Cc3c(C)cc(C)cc32)cc1
InChIInChI=1S/C17H17NO3S/c1-11-4-6-14(7-5-11)22(20,21)18-16-9-12(2)8-13(3)15(16)10-17(18)19/h4-9H,10H2,1-3H3
InChIKeyUQXNNJUAFVKYKI-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.89
Rot. Bonds2

About 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one

4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one (PubChem CID 71697524) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
PubChem CID71697524
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)Cc3c(C)cc(C)cc32)cc1
InChIInChI=1S/C17H17NO3S/c1-11-4-6-14(7-5-11)22(20,21)18-16-9-12(2)8-13(3)15(16)10-17(18)19/h4-9H,10H2,1-3H3
InChIKeyUQXNNJUAFVKYKI-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonylazetidine-2,4-dione
CID 82664020
5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
CID 71697522
6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
CID 132524969
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione
CID 110191744
4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol
CID 25259017
4-bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-one;ethane
CID 143616504
4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 11163963
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one?
The IUPAC name of 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one (CID 71697524) is 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one.
What is the SMILES notation for 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one?
The canonical SMILES for 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one is Cc1ccc(S(=O)(=O)N2C(=O)Cc3c(C)cc(C)cc32)cc1.
What is the InChIKey of 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one?
The InChIKey is UQXNNJUAFVKYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-11-4-6-14(7-5-11)22(20,21)18-16-9-12(2)8-13(3)15(16)10-17(18)19/h4-9H,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one?
4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one has a molecular weight of 315.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one is sourced from PubChem (CID 71697524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).