3-(4-methoxyphenyl)benzenesulfonyl chloride

C13H11ClO3S — CID 4988737

IUPAC3-(4-methoxyphenyl)benzenesulfonyl chloride
SMILESCOc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C13H11ClO3S/c1-17-12-7-5-10(6-8-12)11-3-2-4-13(9-11)18(14,15)16/h2-9H,1H3
InChIKeyONPBVDQBERKQFO-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.29
Rot. Bonds3

About 3-(4-methoxyphenyl)benzenesulfonyl chloride

3-(4-methoxyphenyl)benzenesulfonyl chloride (PubChem CID 4988737) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)benzenesulfonyl chloride
PubChem CID4988737
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name3-(4-methoxyphenyl)benzenesulfonyl chloride
SMILESCOc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C13H11ClO3S/c1-17-12-7-5-10(6-8-12)11-3-2-4-13(9-11)18(14,15)16/h2-9H,1H3
InChIKeyONPBVDQBERKQFO-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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Related Compounds

1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
3-(4-methylphenoxy)benzenesulfonyl chloride
CID 3840556
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride
CID 82308389
N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine
CID 90720567
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-methoxy-6-phenylnaphthalene
CID 11253308
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
6,7-dimethoxynaphthalene-2-sulfonyl chloride
CID 14457754
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)benzenesulfonyl chloride?
The IUPAC name of 3-(4-methoxyphenyl)benzenesulfonyl chloride (CID 4988737) is 3-(4-methoxyphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(4-methoxyphenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(4-methoxyphenyl)benzenesulfonyl chloride is COc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)benzenesulfonyl chloride?
The InChIKey is ONPBVDQBERKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-17-12-7-5-10(6-8-12)11-3-2-4-13(9-11)18(14,15)16/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)benzenesulfonyl chloride?
3-(4-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 3-(4-methoxyphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 4988737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).