[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium

C15H13FNO2S+ — CID 22901544

IUPAC[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
SMILESC#[N+]C(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H13FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h2-10,15H,1H3/q+1
InChIKeyREXDSGAOWURFIJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.57
Rot. Bonds3

About [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium

[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium (PubChem CID 22901544) has the molecular formula C15H13FNO2S+ and a molecular weight of 290.34 g/mol. Its IUPAC name is [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium.

Molecular Properties

Compound Name[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
PubChem CID22901544
Molecular FormulaC15H13FNO2S+
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
SMILESC#[N+]C(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H13FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h2-10,15H,1H3/q+1
InChIKeyREXDSGAOWURFIJ-UHFFFAOYSA-N
XLogP3.57
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
CID 170922892
1-[(R)-(4-chlorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
CID 98043289
1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
CID 139197599
1-[(4-ethylphenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
CID 87616158
1-[isocyano-[4-(trifluoromethoxy)phenyl]methyl]sulfonyl-4-methylbenzene
CID 140743576
2-chloro-1-fluoro-4-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 23076687
1-[2-(4-fluorophenyl)-1-isocyanoethyl]sulfonyl-4-methylbenzene
CID 66524008
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
1,2-dibromo-4-[(R)-isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 99643688
[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl] 4-methylbenzenesulfonate
CID 10757322

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium?
The IUPAC name of [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium (CID 22901544) is [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium.
What is the SMILES notation for [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium?
The canonical SMILES for [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium is C#[N+]C(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium?
The InChIKey is REXDSGAOWURFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h2-10,15H,1H3/q+1.
What are the key properties of [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium?
[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium has a molecular weight of 290.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium is sourced from PubChem (CID 22901544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).