(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H22FN5O4S — CID 4010196

IUPAC(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H22FN5O4S/c20-16-3-2-15(14-17(16)30(27,28)25-10-12-29-13-11-25)18(26)23-6-8-24(9-7-23)19-21-4-1-5-22-19/h1-5,14H,6-13H2
InChIKeyQXTHLRVNWSFYFK-UHFFFAOYSA-N
MW435.48 g/mol
LogP0.60
Rot. Bonds4

About (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 4010196) has the molecular formula C19H22FN5O4S and a molecular weight of 435.48 g/mol. Its IUPAC name is (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID4010196
Molecular FormulaC19H22FN5O4S
Molecular Weight435.48 g/mol
Exact Mass435.14
IUPAC Name(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H22FN5O4S/c20-16-3-2-15(14-17(16)30(27,28)25-10-12-29-13-11-25)18(26)23-6-8-24(9-7-23)19-21-4-1-5-22-19/h1-5,14H,6-13H2
InChIKeyQXTHLRVNWSFYFK-UHFFFAOYSA-N
XLogP0.60
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 4010196) is (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QXTHLRVNWSFYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4S/c20-16-3-2-15(14-17(16)30(27,28)25-10-12-29-13-11-25)18(26)23-6-8-24(9-7-23)19-21-4-1-5-22-19/h1-5,14H,6-13H2.
What are the key properties of (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 435.48 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 4010196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).