2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride

C13H7Cl2NO3S — CID 18508097

IUPAC2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride
SMILESN#Cc1c(Cl)cccc1Oc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C13H7Cl2NO3S/c14-10-4-3-6-11(9(10)8-16)19-12-5-1-2-7-13(12)20(15,17)18/h1-7H
InChIKeyQJUGXZTYJIMYAB-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.93
Rot. Bonds3

About 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride

2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride (PubChem CID 18508097) has the molecular formula C13H7Cl2NO3S and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride
PubChem CID18508097
Molecular FormulaC13H7Cl2NO3S
Molecular Weight328.18 g/mol
Exact Mass326.95
IUPAC Name2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride
SMILESN#Cc1c(Cl)cccc1Oc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C13H7Cl2NO3S/c14-10-4-3-6-11(9(10)8-16)19-12-5-1-2-7-13(12)20(15,17)18/h1-7H
InChIKeyQJUGXZTYJIMYAB-UHFFFAOYSA-N
XLogP3.93
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The IUPAC name of 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride (CID 18508097) is 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride is N#Cc1c(Cl)cccc1Oc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The InChIKey is QJUGXZTYJIMYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO3S/c14-10-4-3-6-11(9(10)8-16)19-12-5-1-2-7-13(12)20(15,17)18/h1-7H.
What are the key properties of 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride?
2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride has a molecular weight of 328.18 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 18508097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).