4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine

C13H15N3O3S — CID 11098358

IUPAC4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1cc(-c2ccccc2)n[nH]1)N1CCOCC1
InChIInChI=1S/C13H15N3O3S/c17-20(18,16-6-8-19-9-7-16)13-10-12(14-15-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChIKeyPOQMJHAYOLXPNB-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.10
Rot. Bonds3

About 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine

4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine (PubChem CID 11098358) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine
PubChem CID11098358
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1cc(-c2ccccc2)n[nH]1)N1CCOCC1
InChIInChI=1S/C13H15N3O3S/c17-20(18,16-6-8-19-9-7-16)13-10-12(14-15-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChIKeyPOQMJHAYOLXPNB-UHFFFAOYSA-N
XLogP1.10
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-5-(5-neopentyl-1H-pyrazol-3-yl)phenylsulfonyl)morpholine
CID 44591241
4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591350
4-(5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591351
5-Phenyl-1H-pyrazole-3-sulfonyl chloride
CID 99110122
US11352339, Example 10
CID 130454423
US11352339, Example 13
CID 130454490
N,N-dimethyl-3-phenyl-1H-pyrazole-5-sulfonamide
CID 10966955
3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 15253048
2,2-dimethylpropyl 3-phenyl-1H-pyrazole-5-sulfonate
CID 15253050
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine
CID 110663909
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine
CID 45182370
N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 70901923

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine (CID 11098358) is 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine is O=S(=O)(c1cc(-c2ccccc2)n[nH]1)N1CCOCC1.
What is the InChIKey of 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine?
The InChIKey is POQMJHAYOLXPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-20(18,16-6-8-19-9-7-16)13-10-12(14-15-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15).
What are the key properties of 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine?
4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine has a molecular weight of 293.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine is sourced from PubChem (CID 11098358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).