3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide

C16H15FN6O2S — CID 53340102

IUPAC3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncnc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C16H15FN6O2S/c1-18-26(24,25)12-6-4-5-11(9-12)21-15-19-10-20-16(23-15)22-14-8-3-2-7-13(14)17/h2-10,18H,1H3,(H2,19,20,21,22,23)
InChIKeyVKNCZQHKDSXVNP-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.41
Rot. Bonds6

About 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide

3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 53340102) has the molecular formula C16H15FN6O2S and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide
PubChem CID53340102
Molecular FormulaC16H15FN6O2S
Molecular Weight374.40 g/mol
Exact Mass374.10
IUPAC Name3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncnc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C16H15FN6O2S/c1-18-26(24,25)12-6-4-5-11(9-12)21-15-19-10-20-16(23-15)22-14-8-3-2-7-13(14)17/h2-10,18H,1H3,(H2,19,20,21,22,23)
InChIKeyVKNCZQHKDSXVNP-UHFFFAOYSA-N
XLogP2.41
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide (CID 53340102) is 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2ncnc(Nc3ccccc3F)n2)c1.
What is the InChIKey of 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is VKNCZQHKDSXVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O2S/c1-18-26(24,25)12-6-4-5-11(9-12)21-15-19-10-20-16(23-15)22-14-8-3-2-7-13(14)17/h2-10,18H,1H3,(H2,19,20,21,22,23).
What are the key properties of 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide?
3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 374.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 53340102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).