2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone

C15H12F2O3S — CID 63199057

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H12F2O3S/c16-15(17)21(19,20)13-8-6-11(7-9-13)10-14(18)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyVCBOVZFBBPELME-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone

2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone (PubChem CID 63199057) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone
PubChem CID63199057
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H12F2O3S/c16-15(17)21(19,20)13-8-6-11(7-9-13)10-14(18)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyVCBOVZFBBPELME-UHFFFAOYSA-N
XLogP3.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-phenacylbenzenesulfonamide
CID 63199150
2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
CID 119349957
2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
CID 86101125
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
4-phenacylbenzoyl iodide
CID 142013538
1,2-diphenylethanone;diphenylmethanone
CID 141067729
4-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]butanoic acid
CID 119352372
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
(2R)-2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119363039
CID 162598602
CID 162598602
(2R)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292250
(2S)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone (CID 63199057) is 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone is O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone?
The InChIKey is VCBOVZFBBPELME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c16-15(17)21(19,20)13-8-6-11(7-9-13)10-14(18)12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone?
2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone has a molecular weight of 310.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone is sourced from PubChem (CID 63199057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).