phenylmethanesulfonyl fluoride

C7H7FO2S — CID 4784

IUPACphenylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1ccccc1
InChIInChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYBYRMVIVWMBXKQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.49
Rot. Bonds2

About phenylmethanesulfonyl fluoride

phenylmethanesulfonyl fluoride (PubChem CID 4784) has the molecular formula C7H7FO2S and a molecular weight of 174.20 g/mol. Its IUPAC name is phenylmethanesulfonyl fluoride.

Molecular Properties

Compound Namephenylmethanesulfonyl fluoride
PubChem CID4784
Molecular FormulaC7H7FO2S
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Namephenylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1ccccc1
InChIInChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYBYRMVIVWMBXKQ-UHFFFAOYSA-N
XLogP1.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylbenzenesulfonyl fluoride
CID 9965
Benzylsulfonic acid
CID 7532
Benzenemethanesulfonamide
CID 78318
Phenylmethanesulfonyl chloride
CID 74740
Phenylmethanesulfinic acid
CID 3311411
alpha-(Methylsulphonyl)toluene
CID 76562
Sulfinylmethylbenzene
CID 639688
Phenyldifluoromethanesulfonamide
CID 12195854
Potassium Xylenesulfonate
CID 23689308
N-Benzylsulfonylhydroxylamin
CID 23645541
Benzeneethanesulfonamide
CID 204808
Sodium benzylsulfonate
CID 23668604

Frequently Asked Questions

What is the IUPAC name of phenylmethanesulfonyl fluoride?
The IUPAC name of phenylmethanesulfonyl fluoride (CID 4784) is phenylmethanesulfonyl fluoride.
What is the SMILES notation for phenylmethanesulfonyl fluoride?
The canonical SMILES for phenylmethanesulfonyl fluoride is O=S(=O)(F)Cc1ccccc1.
What is the InChIKey of phenylmethanesulfonyl fluoride?
The InChIKey is YBYRMVIVWMBXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of phenylmethanesulfonyl fluoride?
phenylmethanesulfonyl fluoride has a molecular weight of 174.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanesulfonyl fluoride is sourced from PubChem (CID 4784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).