N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide

C18H19Cl2NO3S — CID 39915950

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO3S/c1-3-10-25(23,24)17-7-5-4-6-14(17)18(22)21(2)12-13-8-9-15(19)16(20)11-13/h4-9,11H,3,10,12H2,1-2H3
InChIKeyRMGGZVAKWGEMGF-UHFFFAOYSA-N
MW400.33 g/mol
LogP4.45
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide (PubChem CID 39915950) has the molecular formula C18H19Cl2NO3S and a molecular weight of 400.33 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide
PubChem CID39915950
Molecular FormulaC18H19Cl2NO3S
Molecular Weight400.33 g/mol
Exact Mass399.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO3S/c1-3-10-25(23,24)17-7-5-4-6-14(17)18(22)21(2)12-13-8-9-15(19)16(20)11-13/h4-9,11H,3,10,12H2,1-2H3
InChIKeyRMGGZVAKWGEMGF-UHFFFAOYSA-N
XLogP4.45
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide
CID 55669173
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 25163379
N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide
CID 52850935
4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 52845031
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide
CID 55666825
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide (CID 39915950) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide?
The InChIKey is RMGGZVAKWGEMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3S/c1-3-10-25(23,24)17-7-5-4-6-14(17)18(22)21(2)12-13-8-9-15(19)16(20)11-13/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide has a molecular weight of 400.33 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide is sourced from PubChem (CID 39915950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).