quinazoline-2-sulfonyl fluoride

C8H5FN2O2S — CID 119090579

IUPACquinazoline-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ncc2ccccc2n1
InChIInChI=1S/C8H5FN2O2S/c9-14(12,13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyBNBSXJBEEVDMCQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.29
Rot. Bonds1

About quinazoline-2-sulfonyl fluoride

quinazoline-2-sulfonyl fluoride (PubChem CID 119090579) has the molecular formula C8H5FN2O2S and a molecular weight of 212.21 g/mol. Its IUPAC name is quinazoline-2-sulfonyl fluoride.

Molecular Properties

Compound Namequinazoline-2-sulfonyl fluoride
PubChem CID119090579
Molecular FormulaC8H5FN2O2S
Molecular Weight212.21 g/mol
Exact Mass212.01
IUPAC Namequinazoline-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ncc2ccccc2n1
InChIInChI=1S/C8H5FN2O2S/c9-14(12,13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyBNBSXJBEEVDMCQ-UHFFFAOYSA-N
XLogP1.29
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylquinazoline
CID 588987
2-methylquinazoline;platinum
CID 140601163
ethane;2-methylquinazoline
CID 176988292
quinazoline;sulfuric acid
CID 68666384
quinazoline-2-carboxylate
CID 19006949
trimethyl(quinazolin-2-yl)silane
CID 142509748
2-phenylquinazoline
CID 158733567
3-(trifluoromethylsulfonyl)quinoline
CID 154703150
5-quinazolin-2-ylpyrimidin-2-amine
CID 154196702
2-(trichloromethylsulfonyl)quinoline
CID 20582659
2-methoxyquinazoline
CID 594801
copper;quinoline;sulfuric acid
CID 174956434

Frequently Asked Questions

What is the IUPAC name of quinazoline-2-sulfonyl fluoride?
The IUPAC name of quinazoline-2-sulfonyl fluoride (CID 119090579) is quinazoline-2-sulfonyl fluoride.
What is the SMILES notation for quinazoline-2-sulfonyl fluoride?
The canonical SMILES for quinazoline-2-sulfonyl fluoride is O=S(=O)(F)c1ncc2ccccc2n1.
What is the InChIKey of quinazoline-2-sulfonyl fluoride?
The InChIKey is BNBSXJBEEVDMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2S/c9-14(12,13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H.
What are the key properties of quinazoline-2-sulfonyl fluoride?
quinazoline-2-sulfonyl fluoride has a molecular weight of 212.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-2-sulfonyl fluoride is sourced from PubChem (CID 119090579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).