N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide

C13H17Cl2NO3S — CID 122144545

IUPACN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
SMILESCC(CS(C)(=O)=O)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-9(8-20(3,18)19)13(17)16(2)7-10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3
InChIKeyDTTZIBODCNBCEQ-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.63
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide

N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide (PubChem CID 122144545) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
PubChem CID122144545
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
SMILESCC(CS(C)(=O)=O)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-9(8-20(3,18)19)13(17)16(2)7-10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3
InChIKeyDTTZIBODCNBCEQ-UHFFFAOYSA-N
XLogP2.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196121
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 55561197
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide
CID 97359708
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057352
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide (CID 122144545) is N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide is CC(CS(C)(=O)=O)C(=O)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide?
The InChIKey is DTTZIBODCNBCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-9(8-20(3,18)19)13(17)16(2)7-10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide?
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide has a molecular weight of 338.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 122144545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).