4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride

C8H5Cl2NO3S — CID 118800146

IUPAC4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)cc(C#N)c1S(=O)(=O)Cl
InChIInChI=1S/C8H5Cl2NO3S/c1-14-7-3-6(9)2-5(4-11)8(7)15(10,12)13/h2-3H,1H3
InChIKeyBAIPWZQOIKPGHR-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.15
Rot. Bonds2

About 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride

4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride (PubChem CID 118800146) has the molecular formula C8H5Cl2NO3S and a molecular weight of 266.11 g/mol. Its IUPAC name is 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride
PubChem CID118800146
Molecular FormulaC8H5Cl2NO3S
Molecular Weight266.11 g/mol
Exact Mass264.94
IUPAC Name4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)cc(C#N)c1S(=O)(=O)Cl
InChIInChI=1S/C8H5Cl2NO3S/c1-14-7-3-6(9)2-5(4-11)8(7)15(10,12)13/h2-3H,1H3
InChIKeyBAIPWZQOIKPGHR-UHFFFAOYSA-N
XLogP2.15
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-cyano-6-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 118844838
2-(3-Chloro-5-cyanophenoxy)ethane-1-sulfonyl fluoride
CID 165665703
2-Cyano-6-methoxybenzenesulfonyl chloride
CID 55279127
2-(3-Chloro-5-methylphenoxy)-5-cyanobenzenesulfonyl chloride
CID 142944477
4-Chloro-2-methoxy-6-methylbenzenesulfonic acid
CID 175415665
4-Chloro-2-methoxy-3,6-dimethylbenzenesulfonyl chloride
CID 84712407
2-Chloro-6-methoxy-4-methylbenzenesulfonyl chloride
CID 84804874
4-Chloro-3-cyano-2-methoxybenzenesulfonyl chloride
CID 118844480
4-Chloro-2-cyano-6-hydroxybenzene-1-sulfonyl chloride
CID 118850932
2-Chloro-6-cyano-4-methoxybenzene-1-sulfonyl chloride
CID 131329844
2-Chloro-4-methoxy-6-methylbenzenesulfonyl chloride
CID 155820828
2-(3-Chloro-5-cyanophenoxy)ethane-1-sulfonyl chloride
CID 165490299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride (CID 118800146) is 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride is COc1cc(Cl)cc(C#N)c1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride?
The InChIKey is BAIPWZQOIKPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO3S/c1-14-7-3-6(9)2-5(4-11)8(7)15(10,12)13/h2-3H,1H3.
What are the key properties of 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride?
4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride has a molecular weight of 266.11 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyano-6-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 118800146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).