2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one

C19H18N2O3S — CID 59543225

IUPAC2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one
SMILESCc1cc2cc(N3Cc4ccc(S(C)(=O)=O)cc4C3=O)ccc2n1C
InChIInChI=1S/C19H18N2O3S/c1-12-8-14-9-15(5-7-18(14)20(12)2)21-11-13-4-6-16(25(3,23)24)10-17(13)19(21)22/h4-10H,11H2,1-3H3
InChIKeyUEYPRSRHUSKITN-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.05
Rot. Bonds2

About 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one

2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one (PubChem CID 59543225) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one
PubChem CID59543225
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one
SMILESCc1cc2cc(N3Cc4ccc(S(C)(=O)=O)cc4C3=O)ccc2n1C
InChIInChI=1S/C19H18N2O3S/c1-12-8-14-9-15(5-7-18(14)20(12)2)21-11-13-4-6-16(25(3,23)24)10-17(13)19(21)22/h4-10H,11H2,1-3H3
InChIKeyUEYPRSRHUSKITN-UHFFFAOYSA-N
XLogP3.05
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
CID 137400227
N-[(4-ethylsulfonylphenyl)methyl]-2-[(2-methylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432668
2-[(2-ethylphenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432732
N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide
CID 137399640
N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide
CID 137399832
N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide
CID 137400229
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-N,N,2-trimethylindole-6-carboxamide;hydrochloride
CID 137459833
9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-6-methylcarbazole-3-carboxamide
CID 141738716
9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 141738729
N-[(4-ethylsulfonylphenyl)methyl]-9-propan-2-ylcarbazole-3-carboxamide
CID 141738741
(Phenylindolyl)maleimide deriv. 62
CID 5327704
N-(9-ethylcarbazol-3-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 60243771

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one?
The IUPAC name of 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one (CID 59543225) is 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one.
What is the SMILES notation for 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one?
The canonical SMILES for 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one is Cc1cc2cc(N3Cc4ccc(S(C)(=O)=O)cc4C3=O)ccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one?
The InChIKey is UEYPRSRHUSKITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-8-14-9-15(5-7-18(14)20(12)2)21-11-13-4-6-16(25(3,23)24)10-17(13)19(21)22/h4-10H,11H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one?
2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one has a molecular weight of 354.43 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one is sourced from PubChem (CID 59543225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).