4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

C11H13FN6O3S — CID 72696592

IUPAC4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1
InChIInChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
InChIKeyMZYBXAGQQQVJNS-UHFFFAOYSA-N
MW328.33 g/mol
LogP-0.19
Rot. Bonds6

About 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (PubChem CID 72696592) has the molecular formula C11H13FN6O3S and a molecular weight of 328.33 g/mol. Its IUPAC name is 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
PubChem CID72696592
Molecular FormulaC11H13FN6O3S
Molecular Weight328.33 g/mol
Exact Mass328.08
IUPAC Name4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1
InChIInChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
InChIKeyMZYBXAGQQQVJNS-UHFFFAOYSA-N
XLogP-0.19
TPSA143.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (CID 72696592) is 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1.
What is the InChIKey of 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The InChIKey is MZYBXAGQQQVJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18).
What are the key properties of 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide has a molecular weight of 328.33 g/mol, XLogP of -0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 72696592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).