(4-fluorophenyl)sulfonyl-methylidyneazanium

C7H5FNO2S+ — CID 170037149

IUPAC(4-fluorophenyl)sulfonyl-methylidyneazanium
SMILESC#[N+]S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H5FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h1-5H/q+1
InChIKeyBWWPAZOKMTUNIZ-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.48
Rot. Bonds1

About (4-fluorophenyl)sulfonyl-methylidyneazanium

(4-fluorophenyl)sulfonyl-methylidyneazanium (PubChem CID 170037149) has the molecular formula C7H5FNO2S+ and a molecular weight of 186.19 g/mol. Its IUPAC name is (4-fluorophenyl)sulfonyl-methylidyneazanium.

Molecular Properties

Compound Name(4-fluorophenyl)sulfonyl-methylidyneazanium
PubChem CID170037149
Molecular FormulaC7H5FNO2S+
Molecular Weight186.19 g/mol
Exact Mass186.00
IUPAC Name(4-fluorophenyl)sulfonyl-methylidyneazanium
SMILESC#[N+]S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H5FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h1-5H/q+1
InChIKeyBWWPAZOKMTUNIZ-UHFFFAOYSA-N
XLogP1.48
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

gallium tris(4-fluorobenzenesulfonate)
CID 22604842
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-fluorobenzenesulfonic acid;hydrochloride
CID 87503782
(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane
CID 91455649
4-(4-fluorobenzoyl)benzenesulfonic acid
CID 139945300
4-(4-fluorophenyl)sulfonylbenzonitrile
CID 21200851
(4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
CID 125424651
[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
CID 22901544
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
(2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate
CID 54316839
tris(diaminomethylideneazanium);tris(4-fluorobenzenesulfonate)
CID 139118130
3-(4-fluorophenyl)sulfonyloxybutan-2-yl 4-fluorobenzenesulfonate
CID 89440333

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)sulfonyl-methylidyneazanium?
The IUPAC name of (4-fluorophenyl)sulfonyl-methylidyneazanium (CID 170037149) is (4-fluorophenyl)sulfonyl-methylidyneazanium.
What is the SMILES notation for (4-fluorophenyl)sulfonyl-methylidyneazanium?
The canonical SMILES for (4-fluorophenyl)sulfonyl-methylidyneazanium is C#[N+]S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)sulfonyl-methylidyneazanium?
The InChIKey is BWWPAZOKMTUNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h1-5H/q+1.
What are the key properties of (4-fluorophenyl)sulfonyl-methylidyneazanium?
(4-fluorophenyl)sulfonyl-methylidyneazanium has a molecular weight of 186.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)sulfonyl-methylidyneazanium is sourced from PubChem (CID 170037149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).