N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide

C17H18N2O3S — CID 41342513

IUPACN-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C17H18N2O3S/c1-12-5-3-4-6-13(12)11-23(21,22)18-15-7-8-16-14(9-15)10-17(20)19(16)2/h3-9,18H,10-11H2,1-2H3
InChIKeyZAJGGIMIWAIKSK-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.46
Rot. Bonds4

About N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide

N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 41342513) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID41342513
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C17H18N2O3S/c1-12-5-3-4-6-13(12)11-23(21,22)18-15-7-8-16-14(9-15)10-17(20)19(16)2/h3-9,18H,10-11H2,1-2H3
InChIKeyZAJGGIMIWAIKSK-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110781515
1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342517
1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342516
1-(3,5-dimethoxyphenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342526
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
2-(2-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethanesulfonamide
CID 154842547
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide
CID 43955930
1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
CID 115227603

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide (CID 41342513) is N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is ZAJGGIMIWAIKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-5-3-4-6-13(12)11-23(21,22)18-15-7-8-16-14(9-15)10-17(20)19(16)2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 41342513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).