2-[(4-chlorophenyl)methylsulfonyl]thiophene

C11H9ClO2S2 — CID 2819615

IUPAC2-[(4-chlorophenyl)methylsulfonyl]thiophene
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C11H9ClO2S2/c12-10-5-3-9(4-6-10)8-16(13,14)11-2-1-7-15-11/h1-7H,8H2
InChIKeyYROMXUKYMOILPY-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.38
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfonyl]thiophene

2-[(4-chlorophenyl)methylsulfonyl]thiophene (PubChem CID 2819615) has the molecular formula C11H9ClO2S2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]thiophene.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]thiophene
PubChem CID2819615
Molecular FormulaC11H9ClO2S2
Molecular Weight272.78 g/mol
Exact Mass271.97
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]thiophene
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C11H9ClO2S2/c12-10-5-3-9(4-6-10)8-16(13,14)11-2-1-7-15-11/h1-7H,8H2
InChIKeyYROMXUKYMOILPY-UHFFFAOYSA-N
XLogP3.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]thiophene?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]thiophene (CID 2819615) is 2-[(4-chlorophenyl)methylsulfonyl]thiophene.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]thiophene?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]thiophene is O=S(=O)(Cc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]thiophene?
The InChIKey is YROMXUKYMOILPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2S2/c12-10-5-3-9(4-6-10)8-16(13,14)11-2-1-7-15-11/h1-7H,8H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]thiophene?
2-[(4-chlorophenyl)methylsulfonyl]thiophene has a molecular weight of 272.78 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]thiophene is sourced from PubChem (CID 2819615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).