2-(benzenesulfonyl)-1-phenylethanone;fluoroform

C15H13F3O3S — CID 175573425

IUPAC2-(benzenesulfonyl)-1-phenylethanone;fluoroform
SMILESFC(F)F.O=C(CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3S.CHF3/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13;2-1(3)4/h1-10H,11H2;1H
InChIKeyYZHGEPPTQMBUQP-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.52
Rot. Bonds4

About 2-(benzenesulfonyl)-1-phenylethanone;fluoroform

2-(benzenesulfonyl)-1-phenylethanone;fluoroform (PubChem CID 175573425) has the molecular formula C15H13F3O3S and a molecular weight of 330.33 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-phenylethanone;fluoroform.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-phenylethanone;fluoroform
PubChem CID175573425
Molecular FormulaC15H13F3O3S
Molecular Weight330.33 g/mol
Exact Mass330.05
IUPAC Name2-(benzenesulfonyl)-1-phenylethanone;fluoroform
SMILESFC(F)F.O=C(CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3S.CHF3/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13;2-1(3)4/h1-10H,11H2;1H
InChIKeyYZHGEPPTQMBUQP-UHFFFAOYSA-N
XLogP3.52
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 102266574
2-(4-nitrophenyl)sulfonyl-1-phenylethanone
CID 11088058
1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone
CID 66720884
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
CID 62917038
1-phenyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylethanone
CID 175018322
3-(benzenesulfonyl)-2-oxopropanoic acid
CID 91929914
2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
CID 62917039
lithium 2-(4-benzoylphenyl)sulfonylacetate
CID 139892196

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-phenylethanone;fluoroform?
The IUPAC name of 2-(benzenesulfonyl)-1-phenylethanone;fluoroform (CID 175573425) is 2-(benzenesulfonyl)-1-phenylethanone;fluoroform.
What is the SMILES notation for 2-(benzenesulfonyl)-1-phenylethanone;fluoroform?
The canonical SMILES for 2-(benzenesulfonyl)-1-phenylethanone;fluoroform is FC(F)F.O=C(CS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-phenylethanone;fluoroform?
The InChIKey is YZHGEPPTQMBUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S.CHF3/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13;2-1(3)4/h1-10H,11H2;1H.
What are the key properties of 2-(benzenesulfonyl)-1-phenylethanone;fluoroform?
2-(benzenesulfonyl)-1-phenylethanone;fluoroform has a molecular weight of 330.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-phenylethanone;fluoroform is sourced from PubChem (CID 175573425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).