2-chloro-N-ethylethanesulfonamide

C4H10ClNO2S — CID 19089078

IUPAC2-chloro-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCCl
InChIInChI=1S/C4H10ClNO2S/c1-2-6-9(7,8)4-3-5/h6H,2-4H2,1H3
InChIKeyRUORXULLJYMPDE-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.16
Rot. Bonds4

About 2-chloro-N-ethylethanesulfonamide

2-chloro-N-ethylethanesulfonamide (PubChem CID 19089078) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 2-chloro-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethylethanesulfonamide
PubChem CID19089078
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name2-chloro-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCCl
InChIInChI=1S/C4H10ClNO2S/c1-2-6-9(7,8)4-3-5/h6H,2-4H2,1H3
InChIKeyRUORXULLJYMPDE-UHFFFAOYSA-N
XLogP0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylethanesulfonamide?
The IUPAC name of 2-chloro-N-ethylethanesulfonamide (CID 19089078) is 2-chloro-N-ethylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-ethylethanesulfonamide?
The canonical SMILES for 2-chloro-N-ethylethanesulfonamide is CCNS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-ethylethanesulfonamide?
The InChIKey is RUORXULLJYMPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-2-6-9(7,8)4-3-5/h6H,2-4H2,1H3.
What are the key properties of 2-chloro-N-ethylethanesulfonamide?
2-chloro-N-ethylethanesulfonamide has a molecular weight of 171.65 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethylethanesulfonamide is sourced from PubChem (CID 19089078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).