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

C8H5Cl2NO3S — CID 131329844

IUPAC2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)c(S(=O)(=O)Cl)c(C#N)c1
InChIInChI=1S/C8H5Cl2NO3S/c1-14-6-2-5(4-11)8(7(9)3-6)15(10,12)13/h2-3H,1H3
InChIKeyFNUDQQZPPIKVNP-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.15
Rot. Bonds2

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

2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride (PubChem CID 131329844) has the molecular formula C8H5Cl2NO3S and a molecular weight of 266.11 g/mol. Its IUPAC name is 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride
PubChem CID131329844
Molecular FormulaC8H5Cl2NO3S
Molecular Weight266.11 g/mol
Exact Mass264.94
IUPAC Name2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)c(S(=O)(=O)Cl)c(C#N)c1
InChIInChI=1S/C8H5Cl2NO3S/c1-14-6-2-5(4-11)8(7(9)3-6)15(10,12)13/h2-3H,1H3
InChIKeyFNUDQQZPPIKVNP-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

2-Cyano-4-methoxybenzene-1-sulfonyl chloride
CID 55279125
3-Chloro-5-methoxybenzonitrile
CID 21949921
4-Chloro-2-cyano-6-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 118844838
2-(3-Chloro-5-cyanophenoxy)ethane-1-sulfonyl fluoride
CID 165665703
2-Chloro-4-methoxy-6-methylbenzene-1-sulfonyl fluoride
CID 165899140
2-Chloro-3-cyano-4-methoxybenzenesulfonyl chloride
CID 21699222
4-(3-Chloro-2-cyano-phenoxy)-2-methyl-benzenesulfonyl chloride
CID 22591665
2-Chloro-6-methoxy-4-methylbenzenesulfonyl chloride
CID 84804874
2-Chloro-4-methoxy-6-methylbenzenethiol
CID 91874586
7-Chloro-5-methoxy-1,2-benzothiazole 1,1-dioxide
CID 117060615
4-Chloro-2-cyano-6-methoxybenzene-1-sulfonyl chloride
CID 118800146
2-Chloro-4-methoxy-6-methylbenzenesulfonyl chloride
CID 155820828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride (CID 131329844) is 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride is COc1cc(Cl)c(S(=O)(=O)Cl)c(C#N)c1.
What is the InChIKey of 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride?
The InChIKey is FNUDQQZPPIKVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO3S/c1-14-6-2-5(4-11)8(7(9)3-6)15(10,12)13/h2-3H,1H3.
What are the key properties of 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride?
2-chloro-6-cyano-4-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 2-chloro-6-cyano-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 131329844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).