4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride

C8H5Cl2NO3S — CID 118799720

IUPAC4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride
SMILESCOc1c(Cl)ccc(S(=O)(=O)Cl)c1C#N
InChIInChI=1S/C8H5Cl2NO3S/c1-14-8-5(4-11)7(15(10,12)13)3-2-6(8)9/h2-3H,1H3
InChIKeyGPKIQVSGDJGQFK-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.15
Rot. Bonds2

About 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride

4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride (PubChem CID 118799720) has the molecular formula C8H5Cl2NO3S and a molecular weight of 266.11 g/mol. Its IUPAC name is 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride
PubChem CID118799720
Molecular FormulaC8H5Cl2NO3S
Molecular Weight266.11 g/mol
Exact Mass264.94
IUPAC Name4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride
SMILESCOc1c(Cl)ccc(S(=O)(=O)Cl)c1C#N
InChIInChI=1S/C8H5Cl2NO3S/c1-14-8-5(4-11)7(15(10,12)13)3-2-6(8)9/h2-3H,1H3
InChIKeyGPKIQVSGDJGQFK-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride (CID 118799720) is 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride is COc1c(Cl)ccc(S(=O)(=O)Cl)c1C#N.
What is the InChIKey of 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride?
The InChIKey is GPKIQVSGDJGQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO3S/c1-14-8-5(4-11)7(15(10,12)13)3-2-6(8)9/h2-3H,1H3.
What are the key properties of 4-chloro-2-cyano-3-methoxybenzenesulfonyl chloride?
4-chloro-2-cyano-3-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-3-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 118799720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).