N-ethylsulfonylethanesulfonamide

C4H11NO4S2 — CID 18430544

IUPACN-ethylsulfonylethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)CC
InChIInChI=1S/C4H11NO4S2/c1-3-10(6,7)5-11(8,9)4-2/h5H,3-4H2,1-2H3
InChIKeyIPVBROHEYXPTBX-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.72
Rot. Bonds4

About N-ethylsulfonylethanesulfonamide

N-ethylsulfonylethanesulfonamide (PubChem CID 18430544) has the molecular formula C4H11NO4S2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-ethylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-ethylsulfonylethanesulfonamide
PubChem CID18430544
Molecular FormulaC4H11NO4S2
Molecular Weight201.27 g/mol
Exact Mass201.01
IUPAC NameN-ethylsulfonylethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)CC
InChIInChI=1S/C4H11NO4S2/c1-3-10(6,7)5-11(8,9)4-2/h5H,3-4H2,1-2H3
InChIKeyIPVBROHEYXPTBX-UHFFFAOYSA-N
XLogP-0.72
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonylethanesulfonamide?
The IUPAC name of N-ethylsulfonylethanesulfonamide (CID 18430544) is N-ethylsulfonylethanesulfonamide.
What is the SMILES notation for N-ethylsulfonylethanesulfonamide?
The canonical SMILES for N-ethylsulfonylethanesulfonamide is CCS(=O)(=O)NS(=O)(=O)CC.
What is the InChIKey of N-ethylsulfonylethanesulfonamide?
The InChIKey is IPVBROHEYXPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S2/c1-3-10(6,7)5-11(8,9)4-2/h5H,3-4H2,1-2H3.
What are the key properties of N-ethylsulfonylethanesulfonamide?
N-ethylsulfonylethanesulfonamide has a molecular weight of 201.27 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonylethanesulfonamide is sourced from PubChem (CID 18430544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).