5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran

C12H12F2O3S — CID 71490282

IUPAC5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran
SMILESO=S(=O)(c1ccccc1)C(F)(F)C1=COCCC1
InChIInChI=1S/C12H12F2O3S/c13-12(14,10-5-4-8-17-9-10)18(15,16)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2
InChIKeyMNQVRBDQMUYNLJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.75
Rot. Bonds3

About 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran

5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran (PubChem CID 71490282) has the molecular formula C12H12F2O3S and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran
PubChem CID71490282
Molecular FormulaC12H12F2O3S
Molecular Weight274.29 g/mol
Exact Mass274.05
IUPAC Name5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran
SMILESO=S(=O)(c1ccccc1)C(F)(F)C1=COCCC1
InChIInChI=1S/C12H12F2O3S/c13-12(14,10-5-4-8-17-9-10)18(15,16)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2
InChIKeyMNQVRBDQMUYNLJ-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Benzenesulfonyl)ethyl trifluoromethanesulfonate
CID 10781786
(2-Phenylsulfanylcyclopenten-1-yl) trifluoromethanesulfonate
CID 85819908
(1,1-Difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene
CID 134858804
4-(Benzenesulfonyl)-2,3-dihydrofuran
CID 10899873
6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran
CID 14660265
2-(Benzenesulfonyl)oxane
CID 3707989
2,2,2-Trifluoroethyl 2-phenylsulfanylethanesulfonate
CID 4247712
2,2,2-Trifluoroethyl 2-(benzenesulfonyl)ethanesulfonate
CID 4285348
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
CID 10660370
[(Z)-6-methoxy-3-(trifluoromethyl)hex-2-en-4-yn-2-yl]sulfonylbenzene
CID 10805486
[(E)-6-methoxy-3-(trifluoromethyl)hex-2-en-4-yn-2-yl]sulfonylbenzene
CID 10853001
4-[(2-Fluorobenzenesulfonyl)methyl]oxane
CID 64417454

Frequently Asked Questions

What is the IUPAC name of 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran (CID 71490282) is 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran is O=S(=O)(c1ccccc1)C(F)(F)C1=COCCC1.
What is the InChIKey of 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran?
The InChIKey is MNQVRBDQMUYNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O3S/c13-12(14,10-5-4-8-17-9-10)18(15,16)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran?
5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran has a molecular weight of 274.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzenesulfonyl(difluoro)methyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71490282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).