N-(2-chloroethyl)ethenesulfonamide

C4H8ClNO2S — CID 19050545

IUPACN-(2-chloroethyl)ethenesulfonamide
SMILESC=CS(=O)(=O)NCCCl
InChIInChI=1S/C4H8ClNO2S/c1-2-9(7,8)6-4-3-5/h2,6H,1,3-4H2
InChIKeyHDNRTSDTJWLIAA-UHFFFAOYSA-N
MW169.63 g/mol
LogP0.29
Rot. Bonds4

About N-(2-chloroethyl)ethenesulfonamide

N-(2-chloroethyl)ethenesulfonamide (PubChem CID 19050545) has the molecular formula C4H8ClNO2S and a molecular weight of 169.63 g/mol. Its IUPAC name is N-(2-chloroethyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)ethenesulfonamide
PubChem CID19050545
Molecular FormulaC4H8ClNO2S
Molecular Weight169.63 g/mol
Exact Mass169.00
IUPAC NameN-(2-chloroethyl)ethenesulfonamide
SMILESC=CS(=O)(=O)NCCCl
InChIInChI=1S/C4H8ClNO2S/c1-2-9(7,8)6-4-3-5/h2,6H,1,3-4H2
InChIKeyHDNRTSDTJWLIAA-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.29
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 N-(2-chloroethyl)ethenesulfonamide?
The IUPAC name of N-(2-chloroethyl)ethenesulfonamide (CID 19050545) is N-(2-chloroethyl)ethenesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)ethenesulfonamide?
The canonical SMILES for N-(2-chloroethyl)ethenesulfonamide is C=CS(=O)(=O)NCCCl.
What is the InChIKey of N-(2-chloroethyl)ethenesulfonamide?
The InChIKey is HDNRTSDTJWLIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2S/c1-2-9(7,8)6-4-3-5/h2,6H,1,3-4H2.
What are the key properties of N-(2-chloroethyl)ethenesulfonamide?
N-(2-chloroethyl)ethenesulfonamide has a molecular weight of 169.63 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)ethenesulfonamide is sourced from PubChem (CID 19050545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).