4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide

C11H11FN4O2S — CID 67225169

IUPAC4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1F
InChIInChI=1S/C11H11FN4O2S/c1-14-19(17,18)10-3-2-7(4-9(10)12)8-5-15-11(13)16-6-8/h2-6,14H,1H3,(H2,13,15,16)
InChIKeyPOJGGBWGYSTBQR-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.77
Rot. Bonds3

About 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide

4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 67225169) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
PubChem CID67225169
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1F
InChIInChI=1S/C11H11FN4O2S/c1-14-19(17,18)10-3-2-7(4-9(10)12)8-5-15-11(13)16-6-8/h2-6,14H,1H3,(H2,13,15,16)
InChIKeyPOJGGBWGYSTBQR-UHFFFAOYSA-N
XLogP0.77
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide (CID 67225169) is 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1F.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is POJGGBWGYSTBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-14-19(17,18)10-3-2-7(4-9(10)12)8-5-15-11(13)16-6-8/h2-6,14H,1H3,(H2,13,15,16).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide?
4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 67225169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).