2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene

C13H12O2S2 — CID 10967390

IUPAC2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene
SMILESC=C(CS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H12O2S2/c1-11(13-8-5-9-16-13)10-17(14,15)12-6-3-2-4-7-12/h2-9H,1,10H2
InChIKeySKMCGTQVXMJJPQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.24
Rot. Bonds4

About 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene

2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene (PubChem CID 10967390) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene
PubChem CID10967390
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Name2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene
SMILESC=C(CS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H12O2S2/c1-11(13-8-5-9-16-13)10-17(14,15)12-6-3-2-4-7-12/h2-9H,1,10H2
InChIKeySKMCGTQVXMJJPQ-UHFFFAOYSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene?
The IUPAC name of 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene (CID 10967390) is 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene.
What is the SMILES notation for 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene?
The canonical SMILES for 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene is C=C(CS(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene?
The InChIKey is SKMCGTQVXMJJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S2/c1-11(13-8-5-9-16-13)10-17(14,15)12-6-3-2-4-7-12/h2-9H,1,10H2.
What are the key properties of 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene?
2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene has a molecular weight of 264.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene is sourced from PubChem (CID 10967390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).