N-(2-chloroethenyl)ethanesulfonamide

C4H8ClNO2S — CID 57270486

IUPACN-(2-chloroethenyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC=CCl
InChIInChI=1S/C4H8ClNO2S/c1-2-9(7,8)6-4-3-5/h3-4,6H,2H2,1H3
InChIKeyHHNRVFHDZYMFQC-UHFFFAOYSA-N
MW169.63 g/mol
LogP0.64
Rot. Bonds3

About N-(2-chloroethenyl)ethanesulfonamide

N-(2-chloroethenyl)ethanesulfonamide (PubChem CID 57270486) has the molecular formula C4H8ClNO2S and a molecular weight of 169.63 g/mol. Its IUPAC name is N-(2-chloroethenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethenyl)ethanesulfonamide
PubChem CID57270486
Molecular FormulaC4H8ClNO2S
Molecular Weight169.63 g/mol
Exact Mass169.00
IUPAC NameN-(2-chloroethenyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC=CCl
InChIInChI=1S/C4H8ClNO2S/c1-2-9(7,8)6-4-3-5/h3-4,6H,2H2,1H3
InChIKeyHHNRVFHDZYMFQC-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 18918584
CID 18918584
CID 19050545
CID 19050545
CID 154295722
CID 154295722
CID 154325610
CID 154325610
CID 143329834
CID 143329834

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethenyl)ethanesulfonamide?
The IUPAC name of N-(2-chloroethenyl)ethanesulfonamide (CID 57270486) is N-(2-chloroethenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-chloroethenyl)ethanesulfonamide?
The canonical SMILES for N-(2-chloroethenyl)ethanesulfonamide is CCS(=O)(=O)NC=CCl.
What is the InChIKey of N-(2-chloroethenyl)ethanesulfonamide?
The InChIKey is HHNRVFHDZYMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2S/c1-2-9(7,8)6-4-3-5/h3-4,6H,2H2,1H3.
What are the key properties of N-(2-chloroethenyl)ethanesulfonamide?
N-(2-chloroethenyl)ethanesulfonamide has a molecular weight of 169.63 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethenyl)ethanesulfonamide is sourced from PubChem (CID 57270486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).