N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

C13H20Cl2N2O2S — CID 103902046

IUPACN-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H20Cl2N2O2S/c1-9(10-6-5-7-11(14)12(10)15)16-8-13(2,3)17-20(4,18)19/h5-7,9,16-17H,8H2,1-4H3
InChIKeyFSNHBQYYPWANJH-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.97
Rot. Bonds6

About N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 103902046) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID103902046
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC NameN-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H20Cl2N2O2S/c1-9(10-6-5-7-11(14)12(10)15)16-8-13(2,3)17-20(4,18)19/h5-7,9,16-17H,8H2,1-4H3
InChIKeyFSNHBQYYPWANJH-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63861056
3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 103904031
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860315
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 115851148
ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
CID 103914729

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 103902046) is N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(NCC(C)(C)NS(C)(=O)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is FSNHBQYYPWANJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-9(10-6-5-7-11(14)12(10)15)16-8-13(2,3)17-20(4,18)19/h5-7,9,16-17H,8H2,1-4H3.
What are the key properties of N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 339.29 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 103902046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).