2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid

C19H17FN4O4S — CID 123453367

IUPAC2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(=O)O
InChIInChI=1S/C19H17FN4O4S/c1-11(18(25)26)24-29(27,28)17-5-3-2-4-15(17)12-6-7-14(16(20)8-12)13-9-22-19(21)23-10-13/h2-11,24H,1H3,(H,25,26)(H2,21,22,23)
InChIKeyGNNKQYACGVXTGU-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.28
Rot. Bonds6

About 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid

2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid (PubChem CID 123453367) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
PubChem CID123453367
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Name2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(=O)O
InChIInChI=1S/C19H17FN4O4S/c1-11(18(25)26)24-29(27,28)17-5-3-2-4-15(17)12-6-7-14(16(20)8-12)13-9-22-19(21)23-10-13/h2-11,24H,1H3,(H,25,26)(H2,21,22,23)
InChIKeyGNNKQYACGVXTGU-UHFFFAOYSA-N
XLogP2.28
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(2-methylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90313500
2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 90329784
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonyl-2-methylpropanamide
CID 90314595
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90314561
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide
CID 90313950
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
CID 90313870
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 90314566
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]benzenesulfonamide
CID 90314096
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
CID 144679080
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 123140905

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid (CID 123453367) is 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(=O)O.
What is the InChIKey of 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid?
The InChIKey is GNNKQYACGVXTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-11(18(25)26)24-29(27,28)17-5-3-2-4-15(17)12-6-7-14(16(20)8-12)13-9-22-19(21)23-10-13/h2-11,24H,1H3,(H,25,26)(H2,21,22,23).
What are the key properties of 2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid?
2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid has a molecular weight of 416.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 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]sulfonylamino]propanoic acid is sourced from PubChem (CID 123453367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).