4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine

C17H18FN3O3S — CID 151925788

IUPAC4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine
SMILESO=S(=O)(c1cccc(F)c1)C1(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H18FN3O3S/c18-13-2-1-3-14(12-13)25(22,23)17(5-6-17)15-4-7-19-16(20-15)21-8-10-24-11-9-21/h1-4,7,12H,5-6,8-11H2
InChIKeySXSNLOBROGQPNC-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.92
Rot. Bonds4

About 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine

4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine (PubChem CID 151925788) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine
PubChem CID151925788
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine
SMILESO=S(=O)(c1cccc(F)c1)C1(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H18FN3O3S/c18-13-2-1-3-14(12-13)25(22,23)17(5-6-17)15-4-7-19-16(20-15)21-8-10-24-11-9-21/h1-4,7,12H,5-6,8-11H2
InChIKeySXSNLOBROGQPNC-UHFFFAOYSA-N
XLogP1.92
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 129350743
4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
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CID 92568467
4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 136536132
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CID 56923291
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CID 58507943
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
4-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
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4-[4-[(dimethylsulfamoylamino)methyl]pyrimidin-2-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine (CID 151925788) is 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine is O=S(=O)(c1cccc(F)c1)C1(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine?
The InChIKey is SXSNLOBROGQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-13-2-1-3-14(12-13)25(22,23)17(5-6-17)15-4-7-19-16(20-15)21-8-10-24-11-9-21/h1-4,7,12H,5-6,8-11H2.
What are the key properties of 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine?
4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine has a molecular weight of 363.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 151925788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).