benzene;methanesulfonyl fluoride

C7H9FO2S — CID 157433018

IUPACbenzene;methanesulfonyl fluoride
SMILESCS(=O)(=O)F.c1ccccc1
InChIInChI=1S/C6H6.CH3FO2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;1H3
InChIKeyBQTRGWHKMCPDLO-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.60
Rot. Bonds

About benzene;methanesulfonyl fluoride

benzene;methanesulfonyl fluoride (PubChem CID 157433018) has the molecular formula C7H9FO2S and a molecular weight of 176.21 g/mol. Its IUPAC name is benzene;methanesulfonyl fluoride.

Molecular Properties

Compound Namebenzene;methanesulfonyl fluoride
PubChem CID157433018
Molecular FormulaC7H9FO2S
Molecular Weight176.21 g/mol
Exact Mass176.03
IUPAC Namebenzene;methanesulfonyl fluoride
SMILESCS(=O)(=O)F.c1ccccc1
InChIInChI=1S/C6H6.CH3FO2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;1H3
InChIKeyBQTRGWHKMCPDLO-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18769602
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benzene;ethane;methylsulfonylmethane
CID 123468846
benzene;tris(sulfurofluoridic acid)
CID 173082368
bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride
CID 88500838
benzene;ethane;methanesulfonate
CID 90804134
benzene;sulfuryl dichloride;sulfuryl difluoride
CID 23328833
benzene;N,N-dimethylmethanesulfonamide;ethane
CID 91013702
benzene;methanesulfonohydrazide
CID 174482827
hydrogen peroxide;sulfuryl difluoride
CID 175008946
benzene;sulfuric acid
CID 19962519

Frequently Asked Questions

What is the IUPAC name of benzene;methanesulfonyl fluoride?
The IUPAC name of benzene;methanesulfonyl fluoride (CID 157433018) is benzene;methanesulfonyl fluoride.
What is the SMILES notation for benzene;methanesulfonyl fluoride?
The canonical SMILES for benzene;methanesulfonyl fluoride is CS(=O)(=O)F.c1ccccc1.
What is the InChIKey of benzene;methanesulfonyl fluoride?
The InChIKey is BQTRGWHKMCPDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH3FO2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;1H3.
What are the key properties of benzene;methanesulfonyl fluoride?
benzene;methanesulfonyl fluoride has a molecular weight of 176.21 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanesulfonyl fluoride is sourced from PubChem (CID 157433018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).