N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide

C19H20Cl2N2O3S — CID 121269693

IUPACN-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide
SMILESCC1c2cccc(CNS(C)(=O)=O)c2CN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H20Cl2N2O3S/c1-12-14-6-3-5-13(10-22-27(2,25)26)16(14)11-23(12)19(24)9-15-17(20)7-4-8-18(15)21/h3-8,12,22H,9-11H2,1-2H3
InChIKeyYWVVQPVUWHJIFU-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.69
Rot. Bonds5

About N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide

N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide (PubChem CID 121269693) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide
PubChem CID121269693
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC NameN-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide
SMILESCC1c2cccc(CNS(C)(=O)=O)c2CN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H20Cl2N2O3S/c1-12-14-6-3-5-13(10-22-27(2,25)26)16(14)11-23(12)19(24)9-15-17(20)7-4-8-18(15)21/h3-8,12,22H,9-11H2,1-2H3
InChIKeyYWVVQPVUWHJIFU-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide (CID 121269693) is N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide is CC1c2cccc(CNS(C)(=O)=O)c2CN1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide?
The InChIKey is YWVVQPVUWHJIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-12-14-6-3-5-13(10-22-27(2,25)26)16(14)11-23(12)19(24)9-15-17(20)7-4-8-18(15)21/h3-8,12,22H,9-11H2,1-2H3.
What are the key properties of N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide?
N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide has a molecular weight of 427.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,6-dichlorophenyl)acetyl]-1-methyl-1,3-dihydroisoindol-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 121269693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).