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

C17H18N2O3S — CID 110405989

IUPACN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)C(C)C(=O)N2
InChIInChI=1S/C17H18N2O3S/c1-11-5-3-4-6-13(11)10-23(21,22)19-14-7-8-16-15(9-14)12(2)17(20)18-16/h3-9,12,19H,10H2,1-2H3,(H,18,20)
InChIKeyDQXSXOSVQASPGI-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.99
Rot. Bonds4

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

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110405989) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID110405989
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)C(C)C(=O)N2
InChIInChI=1S/C17H18N2O3S/c1-11-5-3-4-6-13(11)10-23(21,22)19-14-7-8-16-15(9-14)12(2)17(20)18-16/h3-9,12,19H,10H2,1-2H3,(H,18,20)
InChIKeyDQXSXOSVQASPGI-UHFFFAOYSA-N
XLogP2.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide (CID 110405989) is N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)C(C)C(=O)N2.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is DQXSXOSVQASPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-5-3-4-6-13(11)10-23(21,22)19-14-7-8-16-15(9-14)12(2)17(20)18-16/h3-9,12,19H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110405989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).