2-cyanoethanesulfonyl chloride

C3H4ClNO2S — CID 21330264

IUPAC2-cyanoethanesulfonyl chloride
SMILESN#CCCS(=O)(=O)Cl
InChIInChI=1S/C3H4ClNO2S/c4-8(6,7)3-1-2-5/h1,3H2
InChIKeyNKBBONIJZUUWAR-UHFFFAOYSA-N
MW153.59 g/mol
LogP0.47
Rot. Bonds2

About 2-cyanoethanesulfonyl chloride

2-cyanoethanesulfonyl chloride (PubChem CID 21330264) has the molecular formula C3H4ClNO2S and a molecular weight of 153.59 g/mol. Its IUPAC name is 2-cyanoethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyanoethanesulfonyl chloride
PubChem CID21330264
Molecular FormulaC3H4ClNO2S
Molecular Weight153.59 g/mol
Exact Mass152.97
IUPAC Name2-cyanoethanesulfonyl chloride
SMILESN#CCCS(=O)(=O)Cl
InChIInChI=1S/C3H4ClNO2S/c4-8(6,7)3-1-2-5/h1,3H2
InChIKeyNKBBONIJZUUWAR-UHFFFAOYSA-N
XLogP0.47
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.59
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethanesulfonyl chloride?
The IUPAC name of 2-cyanoethanesulfonyl chloride (CID 21330264) is 2-cyanoethanesulfonyl chloride.
What is the SMILES notation for 2-cyanoethanesulfonyl chloride?
The canonical SMILES for 2-cyanoethanesulfonyl chloride is N#CCCS(=O)(=O)Cl.
What is the InChIKey of 2-cyanoethanesulfonyl chloride?
The InChIKey is NKBBONIJZUUWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNO2S/c4-8(6,7)3-1-2-5/h1,3H2.
What are the key properties of 2-cyanoethanesulfonyl chloride?
2-cyanoethanesulfonyl chloride has a molecular weight of 153.59 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethanesulfonyl chloride is sourced from PubChem (CID 21330264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).