carbonofluoridic acid;methylsulfonylbenzene

C8H9FO4S — CID 174721962

IUPACcarbonofluoridic acid;methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccccc1.O=C(O)F
InChIInChI=1S/C7H8O2S.CHFO2/c1-10(8,9)7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H,3,4)
InChIKeyKOPIHJCAAMQGPQ-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.72
Rot. Bonds1

About carbonofluoridic acid;methylsulfonylbenzene

carbonofluoridic acid;methylsulfonylbenzene (PubChem CID 174721962) has the molecular formula C8H9FO4S and a molecular weight of 220.22 g/mol. Its IUPAC name is carbonofluoridic acid;methylsulfonylbenzene.

Molecular Properties

Compound Namecarbonofluoridic acid;methylsulfonylbenzene
PubChem CID174721962
Molecular FormulaC8H9FO4S
Molecular Weight220.22 g/mol
Exact Mass220.02
IUPAC Namecarbonofluoridic acid;methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccccc1.O=C(O)F
InChIInChI=1S/C7H8O2S.CHFO2/c1-10(8,9)7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H,3,4)
InChIKeyKOPIHJCAAMQGPQ-UHFFFAOYSA-N
XLogP1.72
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670
ethane;5-methyl-1-methylsulfonylcyclodeca-1,3,5,7,9-pentaene
CID 143718879
(Z)-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoic acid
CID 69412330
acetic acid;benzenesulfonic acid;methanesulfonic acid
CID 23154555
bis((4-methylsulfonylphenyl)-diphenylsulfanium);bis(trifluoromethanesulfonate)
CID 158271504
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
CID 174806443
ethyl (2S)-2-amino-3-hydroxypropanoate;methylsulfonylbenzene
CID 161451981
N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide
CID 12033157
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene
CID 158947409

Frequently Asked Questions

What is the IUPAC name of carbonofluoridic acid;methylsulfonylbenzene?
The IUPAC name of carbonofluoridic acid;methylsulfonylbenzene (CID 174721962) is carbonofluoridic acid;methylsulfonylbenzene.
What is the SMILES notation for carbonofluoridic acid;methylsulfonylbenzene?
The canonical SMILES for carbonofluoridic acid;methylsulfonylbenzene is CS(=O)(=O)c1ccccc1.O=C(O)F.
What is the InChIKey of carbonofluoridic acid;methylsulfonylbenzene?
The InChIKey is KOPIHJCAAMQGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.CHFO2/c1-10(8,9)7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H,3,4).
What are the key properties of carbonofluoridic acid;methylsulfonylbenzene?
carbonofluoridic acid;methylsulfonylbenzene has a molecular weight of 220.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonofluoridic acid;methylsulfonylbenzene is sourced from PubChem (CID 174721962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).