(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

C22H24FN3O4S — CID 124991331

IUPAC(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
SMILESCn1nc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1CCOc1ccccc1F
InChIInChI=1S/C22H24FN3O4S/c1-25-17(11-13-29-21-10-6-5-9-19(21)23)15-20(24-25)22-16-26(12-14-30-22)31(27,28)18-7-3-2-4-8-18/h2-10,15,22H,11-14,16H2,1H3/t22-/m1/s1
InChIKeyPIJXNLYPOSCEPV-JOCHJYFZSA-N
MW445.52 g/mol
LogP2.94
Rot. Bonds7

About (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine (PubChem CID 124991331) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
PubChem CID124991331
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
SMILESCn1nc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1CCOc1ccccc1F
InChIInChI=1S/C22H24FN3O4S/c1-25-17(11-13-29-21-10-6-5-9-19(21)23)15-20(24-25)22-16-26(12-14-30-22)31(27,28)18-7-3-2-4-8-18/h2-10,15,22H,11-14,16H2,1H3/t22-/m1/s1
InChIKeyPIJXNLYPOSCEPV-JOCHJYFZSA-N
XLogP2.94
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one
CID 127248594
(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124997779
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016
2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 127248543
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
CID 155983871
(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
CID 124983011
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127248548
(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 124968540
(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333
2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]-4-[(2-propan-2-yloxyphenyl)methyl]morpholine
CID 127248598
2-(2-fluorophenyl)-4-(3-methylphenyl)sulfonylmorpholine
CID 110326724

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine?
The IUPAC name of (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine (CID 124991331) is (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine.
What is the SMILES notation for (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine?
The canonical SMILES for (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine is Cn1nc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1CCOc1ccccc1F.
What is the InChIKey of (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine?
The InChIKey is PIJXNLYPOSCEPV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-25-17(11-13-29-21-10-6-5-9-19(21)23)15-20(24-25)22-16-26(12-14-30-22)31(27,28)18-7-3-2-4-8-18/h2-10,15,22H,11-14,16H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine?
(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine has a molecular weight of 445.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine is sourced from PubChem (CID 124991331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).