2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene

C11H11ClO2S3 — CID 20680794

IUPAC2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene
SMILESCC(C)S(=O)(=O)c1ccc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C11H11ClO2S3/c1-7(2)17(13,14)11-6-4-9(16-11)8-3-5-10(12)15-8/h3-7H,1-2H3
InChIKeyAGAGXZGANUDTQB-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.31
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene

2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene (PubChem CID 20680794) has the molecular formula C11H11ClO2S3 and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene
PubChem CID20680794
Molecular FormulaC11H11ClO2S3
Molecular Weight306.86 g/mol
Exact Mass305.96
IUPAC Name2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene
SMILESCC(C)S(=O)(=O)c1ccc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C11H11ClO2S3/c1-7(2)17(13,14)11-6-4-9(16-11)8-3-5-10(12)15-8/h3-7H,1-2H3
InChIKeyAGAGXZGANUDTQB-UHFFFAOYSA-N
XLogP4.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene (CID 20680794) is 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene is CC(C)S(=O)(=O)c1ccc(-c2ccc(Cl)s2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene?
The InChIKey is AGAGXZGANUDTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2S3/c1-7(2)17(13,14)11-6-4-9(16-11)8-3-5-10(12)15-8/h3-7H,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene?
2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene has a molecular weight of 306.86 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene is sourced from PubChem (CID 20680794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).