2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride

C14H9Cl2NO3S — CID 142944477

IUPAC2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride
SMILESCc1cc(Cl)cc(Oc2ccc(C#N)cc2S(=O)(=O)Cl)c1
InChIInChI=1S/C14H9Cl2NO3S/c1-9-4-11(15)7-12(5-9)20-13-3-2-10(8-17)6-14(13)21(16,18)19/h2-7H,1H3
InChIKeyDPQIAFZWYAIXPM-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.24
Rot. Bonds3

About 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride

2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride (PubChem CID 142944477) has the molecular formula C14H9Cl2NO3S and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride
PubChem CID142944477
Molecular FormulaC14H9Cl2NO3S
Molecular Weight342.20 g/mol
Exact Mass340.97
IUPAC Name2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride
SMILESCc1cc(Cl)cc(Oc2ccc(C#N)cc2S(=O)(=O)Cl)c1
InChIInChI=1S/C14H9Cl2NO3S/c1-9-4-11(15)7-12(5-9)20-13-3-2-10(8-17)6-14(13)21(16,18)19/h2-7H,1H3
InChIKeyDPQIAFZWYAIXPM-UHFFFAOYSA-N
XLogP4.24
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.24
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-methylphenoxy)-5-cyanobenzenesulfonyl chloride?
The IUPAC name of 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride (CID 142944477) is 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride.
What is the SMILES notation for 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride?
The canonical SMILES for 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride is Cc1cc(Cl)cc(Oc2ccc(C#N)cc2S(=O)(=O)Cl)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride?
The InChIKey is DPQIAFZWYAIXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3S/c1-9-4-11(15)7-12(5-9)20-13-3-2-10(8-17)6-14(13)21(16,18)19/h2-7H,1H3.
What are the key properties of 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride?
2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride has a molecular weight of 342.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride is sourced from PubChem (CID 142944477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).