1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide

C16H16N2O3S — CID 41342565

IUPAC1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-2-4-12(5-3-11)10-22(20,21)18-14-6-7-15-13(8-14)9-16(19)17-15/h2-8,18H,9-10H2,1H3,(H,17,19)
InChIKeyRAQOMNHQTRNJFX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.43
Rot. Bonds4

About 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide

1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide (PubChem CID 41342565) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide
PubChem CID41342565
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-2-4-12(5-3-11)10-22(20,21)18-14-6-7-15-13(8-14)9-16(19)17-15/h2-8,18H,9-10H2,1H3,(H,17,19)
InChIKeyRAQOMNHQTRNJFX-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide
CID 41342569
N-(2-oxo-1,3-dihydroindol-5-yl)propane-2-sulfonamide
CID 40805053
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-ethyl-2-methoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570769
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
CID 40889588
5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
CID 115126207
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide (CID 41342565) is 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide?
The InChIKey is RAQOMNHQTRNJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-2-4-12(5-3-11)10-22(20,21)18-14-6-7-15-13(8-14)9-16(19)17-15/h2-8,18H,9-10H2,1H3,(H,17,19).
What are the key properties of 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide?
1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide is sourced from PubChem (CID 41342565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).