N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

C19H22N2O2S — CID 110782446

IUPACN-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1c(C)n(C)c2ccccc12
InChIInChI=1S/C19H22N2O2S/c1-14-8-4-5-9-16(14)13-24(22,23)20-12-18-15(2)21(3)19-11-7-6-10-17(18)19/h4-11,20H,12-13H2,1-3H3
InChIKeyYIWQBWJMNIQMHC-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.41
Rot. Bonds5

About N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110782446) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110782446
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1c(C)n(C)c2ccccc12
InChIInChI=1S/C19H22N2O2S/c1-14-8-4-5-9-16(14)13-24(22,23)20-12-18-15(2)21(3)19-11-7-6-10-17(18)19/h4-11,20H,12-13H2,1-3H3
InChIKeyYIWQBWJMNIQMHC-UHFFFAOYSA-N
XLogP3.41
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110782446) is N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCc1c(C)n(C)c2ccccc12.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is YIWQBWJMNIQMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-8-4-5-9-16(14)13-24(22,23)20-12-18-15(2)21(3)19-11-7-6-10-17(18)19/h4-11,20H,12-13H2,1-3H3.
What are the key properties of N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110782446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).