2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene

C14H12O2S2 — CID 138975244

IUPAC2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene
SMILESO=S(=O)(C1=Cc2ccccc2CC1)c1cccs1
InChIInChI=1S/C14H12O2S2/c15-18(16,14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-6,9-10H,7-8H2
InChIKeyUNTMQNQKIUYVDS-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.51
Rot. Bonds2

About 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene

2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene (PubChem CID 138975244) has the molecular formula C14H12O2S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene.

Molecular Properties

Compound Name2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene
PubChem CID138975244
Molecular FormulaC14H12O2S2
Molecular Weight276.38 g/mol
Exact Mass276.03
IUPAC Name2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene
SMILESO=S(=O)(C1=Cc2ccccc2CC1)c1cccs1
InChIInChI=1S/C14H12O2S2/c15-18(16,14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-6,9-10H,7-8H2
InChIKeyUNTMQNQKIUYVDS-UHFFFAOYSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene?
The IUPAC name of 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene (CID 138975244) is 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene.
What is the SMILES notation for 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene?
The canonical SMILES for 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene is O=S(=O)(C1=Cc2ccccc2CC1)c1cccs1.
What is the InChIKey of 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene?
The InChIKey is UNTMQNQKIUYVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S2/c15-18(16,14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-6,9-10H,7-8H2.
What are the key properties of 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene?
2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene has a molecular weight of 276.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene is sourced from PubChem (CID 138975244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).