2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone

C14H12F2O3S2 — CID 64636515

IUPAC2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CS(=O)(=O)c2cc(F)ccc2F)c(C)s1
InChIInChI=1S/C14H12F2O3S2/c1-8-5-11(9(2)20-8)13(17)7-21(18,19)14-6-10(15)3-4-12(14)16/h3-6H,7H2,1-2H3
InChIKeyXMVRZJIVPFDIHK-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.30
Rot. Bonds4

About 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 64636515) has the molecular formula C14H12F2O3S2 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID64636515
Molecular FormulaC14H12F2O3S2
Molecular Weight330.38 g/mol
Exact Mass330.02
IUPAC Name2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CS(=O)(=O)c2cc(F)ccc2F)c(C)s1
InChIInChI=1S/C14H12F2O3S2/c1-8-5-11(9(2)20-8)13(17)7-21(18,19)14-6-10(15)3-4-12(14)16/h3-6H,7H2,1-2H3
InChIKeyXMVRZJIVPFDIHK-UHFFFAOYSA-N
XLogP3.30
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone
CID 64635195
(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161425
1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641956
2-(2,5-difluorophenyl)sulfonyl-N-(2,4-dimethylphenyl)acetamide
CID 75527725
3-(2,5-difluorophenyl)sulfonylpropanoic acid
CID 16774065
4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161417
1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 55747786
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
2-(5-chloro-2-fluorophenyl)sulfonylacetic acid
CID 82481568

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 64636515) is 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C(=O)CS(=O)(=O)c2cc(F)ccc2F)c(C)s1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is XMVRZJIVPFDIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O3S2/c1-8-5-11(9(2)20-8)13(17)7-21(18,19)14-6-10(15)3-4-12(14)16/h3-6H,7H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 330.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 64636515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).