5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride

C11H9ClO3S2 — CID 22998474

IUPAC5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1
InChIInChI=1S/C11H9ClO3S2/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)17(12,13)14/h2-7H,1H3
InChIKeyPZHAFFSEQBNUOB-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.35
Rot. Bonds3

About 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride

5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride (PubChem CID 22998474) has the molecular formula C11H9ClO3S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride
PubChem CID22998474
Molecular FormulaC11H9ClO3S2
Molecular Weight288.78 g/mol
Exact Mass287.97
IUPAC Name5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1
InChIInChI=1S/C11H9ClO3S2/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)17(12,13)14/h2-7H,1H3
InChIKeyPZHAFFSEQBNUOB-UHFFFAOYSA-N
XLogP3.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride (CID 22998474) is 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride is COc1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride?
The InChIKey is PZHAFFSEQBNUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3S2/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)17(12,13)14/h2-7H,1H3.
What are the key properties of 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride?
5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride has a molecular weight of 288.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 22998474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).