4-(3-methoxyphenyl)benzenesulfonyl chloride

C13H11ClO3S — CID 10826798

IUPAC4-(3-methoxyphenyl)benzenesulfonyl chloride
SMILESCOc1cccc(-c2ccc(S(=O)(=O)Cl)cc2)c1
InChIInChI=1S/C13H11ClO3S/c1-17-12-4-2-3-11(9-12)10-5-7-13(8-6-10)18(14,15)16/h2-9H,1H3
InChIKeyDVQBUJTYQXKLKZ-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.29
Rot. Bonds3

About 4-(3-methoxyphenyl)benzenesulfonyl chloride

4-(3-methoxyphenyl)benzenesulfonyl chloride (PubChem CID 10826798) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-methoxyphenyl)benzenesulfonyl chloride
PubChem CID10826798
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name4-(3-methoxyphenyl)benzenesulfonyl chloride
SMILESCOc1cccc(-c2ccc(S(=O)(=O)Cl)cc2)c1
InChIInChI=1S/C13H11ClO3S/c1-17-12-4-2-3-11(9-12)10-5-7-13(8-6-10)18(14,15)16/h2-9H,1H3
InChIKeyDVQBUJTYQXKLKZ-UHFFFAOYSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)benzenesulfonyl chloride?
The IUPAC name of 4-(3-methoxyphenyl)benzenesulfonyl chloride (CID 10826798) is 4-(3-methoxyphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(3-methoxyphenyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(3-methoxyphenyl)benzenesulfonyl chloride is COc1cccc(-c2ccc(S(=O)(=O)Cl)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)benzenesulfonyl chloride?
The InChIKey is DVQBUJTYQXKLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-17-12-4-2-3-11(9-12)10-5-7-13(8-6-10)18(14,15)16/h2-9H,1H3.
What are the key properties of 4-(3-methoxyphenyl)benzenesulfonyl chloride?
4-(3-methoxyphenyl)benzenesulfonyl chloride has a molecular weight of 282.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 10826798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).