4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine

C15H18FN3O3S — CID 75494750

IUPAC4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1c(F)cccc1S(=O)(=O)N1CCOC(c2cnn(C)c2)C1
InChIInChI=1S/C15H18FN3O3S/c1-11-13(16)4-3-5-15(11)23(20,21)19-6-7-22-14(10-19)12-8-17-18(2)9-12/h3-5,8-9,14H,6-7,10H2,1-2H3
InChIKeyCUFSHTXTWAWIOX-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.63
Rot. Bonds3

About 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine

4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 75494750) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID75494750
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1c(F)cccc1S(=O)(=O)N1CCOC(c2cnn(C)c2)C1
InChIInChI=1S/C15H18FN3O3S/c1-11-13(16)4-3-5-15(11)23(20,21)19-6-7-22-14(10-19)12-8-17-18(2)9-12/h3-5,8-9,14H,6-7,10H2,1-2H3
InChIKeyCUFSHTXTWAWIOX-UHFFFAOYSA-N
XLogP1.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine (CID 75494750) is 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine is Cc1c(F)cccc1S(=O)(=O)N1CCOC(c2cnn(C)c2)C1.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is CUFSHTXTWAWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-11-13(16)4-3-5-15(11)23(20,21)19-6-7-22-14(10-19)12-8-17-18(2)9-12/h3-5,8-9,14H,6-7,10H2,1-2H3.
What are the key properties of 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 339.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 75494750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).