1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide

C13H20Cl2N2O2S — CID 72704500

IUPAC1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O2S/c1-3-17(4-2)8-7-16-20(18,19)10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyVTJZQJGMIHLIFJ-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.75
Rot. Bonds8

About 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide (PubChem CID 72704500) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
PubChem CID72704500
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O2S/c1-3-17(4-2)8-7-16-20(18,19)10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyVTJZQJGMIHLIFJ-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide (CID 72704500) is 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide is CCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The InChIKey is VTJZQJGMIHLIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-3-17(4-2)8-7-16-20(18,19)10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide has a molecular weight of 339.29 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 72704500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).