2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide

C13H19ClN2O3S — CID 83170987

IUPAC2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1c(Cl)cccc1S(C)(=O)=O)C(=O)N(C)C
InChIInChI=1S/C13H19ClN2O3S/c1-9(13(17)16(2)3)15-8-10-11(14)6-5-7-12(10)20(4,18)19/h5-7,9,15H,8H2,1-4H3
InChIKeyVZEAJQMOKKMISU-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.31
Rot. Bonds5

About 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide

2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 83170987) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID83170987
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1c(Cl)cccc1S(C)(=O)=O)C(=O)N(C)C
InChIInChI=1S/C13H19ClN2O3S/c1-9(13(17)16(2)3)15-8-10-11(14)6-5-7-12(10)20(4,18)19/h5-7,9,15H,8H2,1-4H3
InChIKeyVZEAJQMOKKMISU-UHFFFAOYSA-N
XLogP1.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
CID 114983164
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-methylpentan-3-amine
CID 83169880
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-phenylethanamine
CID 83168346
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-methylpentan-2-amine
CID 83170991
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-4-methylpentan-1-ol
CID 83170203
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine
CID 83169876
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-6-methylheptan-2-amine
CID 83169673
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
CID 83170840
2-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]prop-2-en-1-amine
CID 104589766
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
CID 83209467
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
4-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]aniline
CID 83169873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide (CID 83170987) is 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide is CC(NCc1c(Cl)cccc1S(C)(=O)=O)C(=O)N(C)C.
What is the InChIKey of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is VZEAJQMOKKMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9(13(17)16(2)3)15-8-10-11(14)6-5-7-12(10)20(4,18)19/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide?
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 318.83 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 83170987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).