3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide

C14H15FN4O3S — CID 71790208

IUPAC3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O3S/c15-11-2-1-3-13(8-11)23(20,21)18-12-9-16-14(17-10-12)19-4-6-22-7-5-19/h1-3,8-10,18H,4-7H2
InChIKeyGFRZRRKXZUDGKI-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.25
Rot. Bonds4

About 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide

3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 71790208) has the molecular formula C14H15FN4O3S and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide
PubChem CID71790208
Molecular FormulaC14H15FN4O3S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC Name3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O3S/c15-11-2-1-3-13(8-11)23(20,21)18-12-9-16-14(17-10-12)19-4-6-22-7-5-19/h1-3,8-10,18H,4-7H2
InChIKeyGFRZRRKXZUDGKI-UHFFFAOYSA-N
XLogP1.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide (CID 71790208) is 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide is O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is GFRZRRKXZUDGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3S/c15-11-2-1-3-13(8-11)23(20,21)18-12-9-16-14(17-10-12)19-4-6-22-7-5-19/h1-3,8-10,18H,4-7H2.
What are the key properties of 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide?
3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 338.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 71790208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).