3-(4-chlorophenyl)sulfonyl-4-methylthiophene

C11H9ClO2S2 — CID 2778686

IUPAC3-(4-chlorophenyl)sulfonyl-4-methylthiophene
SMILESCc1cscc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClO2S2/c1-8-6-15-7-11(8)16(13,14)10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeyBTQFGBGTXZGTPE-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.54
Rot. Bonds2

About 3-(4-chlorophenyl)sulfonyl-4-methylthiophene

3-(4-chlorophenyl)sulfonyl-4-methylthiophene (PubChem CID 2778686) has the molecular formula C11H9ClO2S2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-4-methylthiophene.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-4-methylthiophene
PubChem CID2778686
Molecular FormulaC11H9ClO2S2
Molecular Weight272.78 g/mol
Exact Mass271.97
IUPAC Name3-(4-chlorophenyl)sulfonyl-4-methylthiophene
SMILESCc1cscc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClO2S2/c1-8-6-15-7-11(8)16(13,14)10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeyBTQFGBGTXZGTPE-UHFFFAOYSA-N
XLogP3.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-methylthiophene?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-methylthiophene (CID 2778686) is 3-(4-chlorophenyl)sulfonyl-4-methylthiophene.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-4-methylthiophene?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-4-methylthiophene is Cc1cscc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-4-methylthiophene?
The InChIKey is BTQFGBGTXZGTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2S2/c1-8-6-15-7-11(8)16(13,14)10-4-2-9(12)3-5-10/h2-7H,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-4-methylthiophene?
3-(4-chlorophenyl)sulfonyl-4-methylthiophene has a molecular weight of 272.78 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-4-methylthiophene is sourced from PubChem (CID 2778686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).