3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene

C13H11BrO2S2 — CID 154492964

IUPAC3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene
SMILESC=C(CS(=O)(=O)c1sccc1Br)c1ccccc1
InChIInChI=1S/C13H11BrO2S2/c1-10(11-5-3-2-4-6-11)9-18(15,16)13-12(14)7-8-17-13/h2-8H,1,9H2
InChIKeyQRSJKBVLYUGDIE-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.00
Rot. Bonds4

About 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene

3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene (PubChem CID 154492964) has the molecular formula C13H11BrO2S2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene
PubChem CID154492964
Molecular FormulaC13H11BrO2S2
Molecular Weight343.27 g/mol
Exact Mass341.94
IUPAC Name3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene
SMILESC=C(CS(=O)(=O)c1sccc1Br)c1ccccc1
InChIInChI=1S/C13H11BrO2S2/c1-10(11-5-3-2-4-6-11)9-18(15,16)13-12(14)7-8-17-13/h2-8H,1,9H2
InChIKeyQRSJKBVLYUGDIE-UHFFFAOYSA-N
XLogP4.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene?
The IUPAC name of 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene (CID 154492964) is 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene.
What is the SMILES notation for 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene?
The canonical SMILES for 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene is C=C(CS(=O)(=O)c1sccc1Br)c1ccccc1.
What is the InChIKey of 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene?
The InChIKey is QRSJKBVLYUGDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2S2/c1-10(11-5-3-2-4-6-11)9-18(15,16)13-12(14)7-8-17-13/h2-8H,1,9H2.
What are the key properties of 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene?
3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene has a molecular weight of 343.27 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-phenylprop-2-enylsulfonyl)thiophene is sourced from PubChem (CID 154492964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).