2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride

C9H7Cl2NO3S — CID 165490299

IUPAC2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride
SMILESN#Cc1cc(Cl)cc(OCCS(=O)(=O)Cl)c1
InChIInChI=1S/C9H7Cl2NO3S/c10-8-3-7(6-12)4-9(5-8)15-1-2-16(11,13)14/h3-5H,1-2H2
InChIKeyPYNLKGYRBIKLGR-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.16
Rot. Bonds4

About 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride

2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride (PubChem CID 165490299) has the molecular formula C9H7Cl2NO3S and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride
PubChem CID165490299
Molecular FormulaC9H7Cl2NO3S
Molecular Weight280.13 g/mol
Exact Mass278.95
IUPAC Name2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride
SMILESN#Cc1cc(Cl)cc(OCCS(=O)(=O)Cl)c1
InChIInChI=1S/C9H7Cl2NO3S/c10-8-3-7(6-12)4-9(5-8)15-1-2-16(11,13)14/h3-5H,1-2H2
InChIKeyPYNLKGYRBIKLGR-UHFFFAOYSA-N
XLogP2.16
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride (CID 165490299) is 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride is N#Cc1cc(Cl)cc(OCCS(=O)(=O)Cl)c1.
What is the InChIKey of 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride?
The InChIKey is PYNLKGYRBIKLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO3S/c10-8-3-7(6-12)4-9(5-8)15-1-2-16(11,13)14/h3-5H,1-2H2.
What are the key properties of 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride?
2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride has a molecular weight of 280.13 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-cyanophenoxy)ethanesulfonyl chloride is sourced from PubChem (CID 165490299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).