(3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine

C14H16FN3O3S — CID 125022583

IUPAC(3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine
SMILESCc1cn[nH]c1[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O3S/c1-10-8-16-17-14(10)13-9-21-6-5-18(13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyYRNPLEKQTHBHMF-ZDUSSCGKSA-N
MW325.37 g/mol
LogP1.62
Rot. Bonds3

About (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine

(3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine (PubChem CID 125022583) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine
PubChem CID125022583
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name(3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine
SMILESCc1cn[nH]c1[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O3S/c1-10-8-16-17-14(10)13-9-21-6-5-18(13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyYRNPLEKQTHBHMF-ZDUSSCGKSA-N
XLogP1.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The IUPAC name of (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine (CID 125022583) is (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The canonical SMILES for (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine is Cc1cn[nH]c1[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The InChIKey is YRNPLEKQTHBHMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-10-8-16-17-14(10)13-9-21-6-5-18(13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
(3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine has a molecular weight of 325.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 125022583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).