2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide

C18H15FN4O3S — CID 90313950

IUPAC2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C18H15FN4O3S/c19-15-7-11(5-6-13(15)12-8-22-18(21)23-9-12)14-3-1-2-4-16(14)27(25,26)10-17(20)24/h1-9H,10H2,(H2,20,24)(H2,21,22,23)
InChIKeyLIGJHKWSXYDQLI-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide

2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide (PubChem CID 90313950) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide
PubChem CID90313950
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C18H15FN4O3S/c19-15-7-11(5-6-13(15)12-8-22-18(21)23-9-12)14-3-1-2-4-16(14)27(25,26)10-17(20)24/h1-9H,10H2,(H2,20,24)(H2,21,22,23)
InChIKeyLIGJHKWSXYDQLI-UHFFFAOYSA-N
XLogP1.79
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonyl-2-methylpropanamide
CID 90314595
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
CID 123453367
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-1,1-dihydroxypropan-2-yl]benzenesulfonamide
CID 137396116
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(2-methylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90313500
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylpyrimidin-4-amine
CID 90313696
5-[2-fluoro-4-[2-(3-methylazetidin-1-yl)sulfonylphenyl]phenyl]pyrimidin-2-amine
CID 134231964
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 90314566
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
CID 144679080
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90314561
5-[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]pyrimidin-2-amine
CID 144679120
1-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]propan-2-one
CID 123818234

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide?
The IUPAC name of 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide (CID 90313950) is 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide.
What is the SMILES notation for 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide?
The canonical SMILES for 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide is NC(=O)CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide?
The InChIKey is LIGJHKWSXYDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c19-15-7-11(5-6-13(15)12-8-22-18(21)23-9-12)14-3-1-2-4-16(14)27(25,26)10-17(20)24/h1-9H,10H2,(H2,20,24)(H2,21,22,23).
What are the key properties of 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide?
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide has a molecular weight of 386.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 90313950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).