2-(benzenesulfonyl)-3-methylthiophene

C11H10O2S2 — CID 744866

IUPAC2-(benzenesulfonyl)-3-methylthiophene
SMILESCc1ccsc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10O2S2/c1-9-7-8-14-11(9)15(12,13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMLHNQBLBXRULMN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.89
Rot. Bonds2

About 2-(benzenesulfonyl)-3-methylthiophene

2-(benzenesulfonyl)-3-methylthiophene (PubChem CID 744866) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-methylthiophene.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-methylthiophene
PubChem CID744866
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name2-(benzenesulfonyl)-3-methylthiophene
SMILESCc1ccsc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10O2S2/c1-9-7-8-14-11(9)15(12,13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMLHNQBLBXRULMN-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-3-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 50908699
CID 50908699
CID 52949357
CID 52949357
CID 284324
CID 284324
CID 519297
CID 519297
CID 50908697
CID 50908697
CID 50908698
CID 50908698
CID 14642289
CID 14642289
CID 134132835
CID 134132835
CID 220260
CID 220260
CID 625574
CID 625574
CID 2778915
CID 2778915
CID 10828282
CID 10828282

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-methylthiophene?
The IUPAC name of 2-(benzenesulfonyl)-3-methylthiophene (CID 744866) is 2-(benzenesulfonyl)-3-methylthiophene.
What is the SMILES notation for 2-(benzenesulfonyl)-3-methylthiophene?
The canonical SMILES for 2-(benzenesulfonyl)-3-methylthiophene is Cc1ccsc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-methylthiophene?
The InChIKey is MLHNQBLBXRULMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c1-9-7-8-14-11(9)15(12,13)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 2-(benzenesulfonyl)-3-methylthiophene?
2-(benzenesulfonyl)-3-methylthiophene has a molecular weight of 238.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-methylthiophene is sourced from PubChem (CID 744866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).