2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone

C12H8F2O3S2 — CID 162414096

IUPAC2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H8F2O3S2/c13-12(14,11(15)10-7-4-8-18-10)19(16,17)9-5-2-1-3-6-9/h1-8H
InChIKeyNIKULOQXHYTFPQ-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.00
Rot. Bonds4

About 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone

2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone (PubChem CID 162414096) has the molecular formula C12H8F2O3S2 and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone
PubChem CID162414096
Molecular FormulaC12H8F2O3S2
Molecular Weight302.32 g/mol
Exact Mass301.99
IUPAC Name2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H8F2O3S2/c13-12(14,11(15)10-7-4-8-18-10)19(16,17)9-5-2-1-3-6-9/h1-8H
InChIKeyNIKULOQXHYTFPQ-UHFFFAOYSA-N
XLogP3.00
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone?
The IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone (CID 162414096) is 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone is O=C(c1cccs1)C(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone?
The InChIKey is NIKULOQXHYTFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O3S2/c13-12(14,11(15)10-7-4-8-18-10)19(16,17)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone?
2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone has a molecular weight of 302.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2,2-difluoro-1-thiophen-2-ylethanone is sourced from PubChem (CID 162414096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).