5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride

C13H6Cl3NO3S — CID 59548939

IUPAC5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H6Cl3NO3S/c14-9-2-3-10(15)12(6-9)20-11-4-1-8(7-17)5-13(11)21(16,18)19/h1-6H
InChIKeyRQWDPGIFRQJPPV-UHFFFAOYSA-N
MW362.62 g/mol
LogP4.58
Rot. Bonds3

About 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride

5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride (PubChem CID 59548939) has the molecular formula C13H6Cl3NO3S and a molecular weight of 362.62 g/mol. Its IUPAC name is 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride
PubChem CID59548939
Molecular FormulaC13H6Cl3NO3S
Molecular Weight362.62 g/mol
Exact Mass360.91
IUPAC Name5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H6Cl3NO3S/c14-9-2-3-10(15)12(6-9)20-11-4-1-8(7-17)5-13(11)21(16,18)19/h1-6H
InChIKeyRQWDPGIFRQJPPV-UHFFFAOYSA-N
XLogP4.58
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
4-(2,5-dichlorophenoxy)-3-piperazin-1-ylsulfonylbenzonitrile;dihydrochloride
CID 142764853
3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 61375214
3-(2,5-dichlorophenoxy)benzonitrile
CID 86153533
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
5-cyano-2-(2,5-difluorophenoxy)benzenesulfonyl iodide
CID 89020213
4-(2-chloro-5-nitrophenoxy)-3-fluorobenzonitrile
CID 63992371
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
CID 107665713
(2,4-dichlorophenyl) 4-cyanobenzenesulfonate
CID 2805763
5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride
CID 54293820
2,4-dicyanobenzenesulfonyl chloride
CID 19612240
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride (CID 59548939) is 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride is N#Cc1ccc(Oc2cc(Cl)ccc2Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride?
The InChIKey is RQWDPGIFRQJPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3NO3S/c14-9-2-3-10(15)12(6-9)20-11-4-1-8(7-17)5-13(11)21(16,18)19/h1-6H.
What are the key properties of 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride?
5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride has a molecular weight of 362.62 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 59548939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).