2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide

C13H19ClN2O3S — CID 47008650

IUPAC2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(=O)N(C)C
InChIInChI=1S/C13H19ClN2O3S/c1-15(2)13(17)10-16(3)8-9-20(18,19)12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3
InChIKeyNACIEMUMCWRCLS-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.13
Rot. Bonds6

About 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide

2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide (PubChem CID 47008650) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide
PubChem CID47008650
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(=O)N(C)C
InChIInChI=1S/C13H19ClN2O3S/c1-15(2)13(17)10-16(3)8-9-20(18,19)12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3
InChIKeyNACIEMUMCWRCLS-UHFFFAOYSA-N
XLogP1.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide (CID 47008650) is 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide is CN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(=O)N(C)C.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is NACIEMUMCWRCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-15(2)13(17)10-16(3)8-9-20(18,19)12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide?
2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 318.83 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 47008650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).