(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine

C15H18FN3O3S — CID 97330629

IUPAC(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H18FN3O3S/c1-10-15(11(2)18-17-10)13-9-22-8-7-19(13)23(20,21)14-6-4-3-5-12(14)16/h3-6,13H,7-9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyHKNAQBKEIPGLOA-ZDUSSCGKSA-N
MW339.39 g/mol
LogP1.93
Rot. Bonds3

About (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine

(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine (PubChem CID 97330629) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine
PubChem CID97330629
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H18FN3O3S/c1-10-15(11(2)18-17-10)13-9-22-8-7-19(13)23(20,21)14-6-4-3-5-12(14)16/h3-6,13H,7-9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyHKNAQBKEIPGLOA-ZDUSSCGKSA-N
XLogP1.93
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine?
The IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine (CID 97330629) is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine is Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine?
The InChIKey is HKNAQBKEIPGLOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-10-15(11(2)18-17-10)13-9-22-8-7-19(13)23(20,21)14-6-4-3-5-12(14)16/h3-6,13H,7-9H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine?
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine has a molecular weight of 339.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine is sourced from PubChem (CID 97330629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).