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

C8H5Cl2NO3S — CID 118844480

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

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

4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride (PubChem CID 118844480) has the molecular formula C8H5Cl2NO3S and a molecular weight of 266.11 g/mol. Its IUPAC name is 4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride
PubChem CID118844480
Molecular FormulaC8H5Cl2NO3S
Molecular Weight266.11 g/mol
Exact Mass264.94
IUPAC Name4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)ccc(Cl)c1C#N
InChIInChI=1S/C8H5Cl2NO3S/c1-14-8-5(4-11)6(9)2-3-7(8)15(10,12)13/h2-3H,1H3
InChIKeyKEPJOWUZZFBAFT-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-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride
CID 2776917
4-Chloro-3-cyano-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 118799882
4-Chloro-5-cyano-2-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 118827927
2-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride
CID 18508097
4-Chloro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 18782243
3-(Bromomethyl)-4-chloro-2-methoxybenzenesulfonyl chloride
CID 18782281
2-Chloro-3-cyano-4-methoxybenzenesulfonyl chloride
CID 21699222
2-(3-Chloro-2-cyanophenoxy)benzenesulfinate
CID 57277443
4-(3-Chloro-4-cyanophenoxy)-3-cyanobenzene-1-sulfonyl chloride
CID 117653379
4-(3-Chloro-4-cyanophenoxy)-3-methylbenzenesulfonyl chloride
CID 123808847
1-Chloro-2-methyl-4-methylsulfonyl-3-propoxybenzene
CID 140151469
3-Cyano-2-methoxybenzenesulfonyl chloride
CID 55279128

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride (CID 118844480) is 4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride is COc1c(S(=O)(=O)Cl)ccc(Cl)c1C#N.
What is the InChIKey of 4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride?
The InChIKey is KEPJOWUZZFBAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO3S/c1-14-8-5(4-11)6(9)2-3-7(8)15(10,12)13/h2-3H,1H3.
What are the key properties of 4-chloro-3-cyano-2-methoxybenzenesulfonyl chloride?
4-chloro-3-cyano-2-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-3-cyano-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 118844480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).