2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide

C10H14Cl2N2O2S — CID 43551780

IUPAC2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-7(14-4-5-17(13,15)16)8-2-3-9(11)10(12)6-8/h2-3,6-7,14H,4-5H2,1H3,(H2,13,15,16)
InChIKeyHLTPTGNFOADTRK-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.93
Rot. Bonds5

About 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide

2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide (PubChem CID 43551780) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide
PubChem CID43551780
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-7(14-4-5-17(13,15)16)8-2-3-9(11)10(12)6-8/h2-3,6-7,14H,4-5H2,1H3,(H2,13,15,16)
InChIKeyHLTPTGNFOADTRK-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide (CID 43551780) is 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide is CC(NCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide?
The InChIKey is HLTPTGNFOADTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-7(14-4-5-17(13,15)16)8-2-3-9(11)10(12)6-8/h2-3,6-7,14H,4-5H2,1H3,(H2,13,15,16).
What are the key properties of 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide?
2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 43551780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).