2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine

C11H10FN5O2S — CID 89345240

IUPAC2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine
SMILESC=CS(=O)(=O)c1ccc(Nc2nc(N)nc(F)n2)cc1
InChIInChI=1S/C11H10FN5O2S/c1-2-20(18,19)8-5-3-7(4-6-8)14-11-16-9(12)15-10(13)17-11/h2-6H,1H2,(H3,13,14,15,16,17)
InChIKeyGYNGKPFKYHJSIY-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.25
Rot. Bonds4

About 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine

2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine (PubChem CID 89345240) has the molecular formula C11H10FN5O2S and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine
PubChem CID89345240
Molecular FormulaC11H10FN5O2S
Molecular Weight295.30 g/mol
Exact Mass295.05
IUPAC Name2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine
SMILESC=CS(=O)(=O)c1ccc(Nc2nc(N)nc(F)n2)cc1
InChIInChI=1S/C11H10FN5O2S/c1-2-20(18,19)8-5-3-7(4-6-8)14-11-16-9(12)15-10(13)17-11/h2-6H,1H2,(H3,13,14,15,16,17)
InChIKeyGYNGKPFKYHJSIY-UHFFFAOYSA-N
XLogP1.25
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4,6-difluoropyrimidin-2-yl)amino]benzenesulfonic acid
CID 91807841
sodium 4,6-bis(4-sulfoanilino)-1,3,5-triazin-2-olate
CID 101326523
4-[[2,6-bis(4-sulfoanilino)pyrimidin-4-yl]amino]benzenesulfonic acid
CID 143050820
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
1-N-(4-ethenyl-6-fluoro-1,3,5-triazin-2-yl)-4-methylbenzene-1,3-diamine
CID 20645295
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]benzene-1,4-disulfonic acid
CID 89224120
disodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 15375405
6-chloro-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80759434
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
2-[4-[[4-(4-amino-3-carbamoylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]sulfonylethyl hydrogen sulfate
CID 165340135
sodium 2-amino-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate
CID 23684092

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine (CID 89345240) is 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine is C=CS(=O)(=O)c1ccc(Nc2nc(N)nc(F)n2)cc1.
What is the InChIKey of 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine?
The InChIKey is GYNGKPFKYHJSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2S/c1-2-20(18,19)8-5-3-7(4-6-8)14-11-16-9(12)15-10(13)17-11/h2-6H,1H2,(H3,13,14,15,16,17).
What are the key properties of 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine?
2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine has a molecular weight of 295.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethenylsulfonylphenyl)-6-fluoro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89345240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).