4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine

C14H17N3O3S — CID 71806577

IUPAC4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cn1
InChIInChI=1S/C14H17N3O3S/c1-16-10-13(9-15-16)21(18,19)17-7-8-20-14(11-17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3
InChIKeyLOIHFJBCDIIROF-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.18
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine

4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine (PubChem CID 71806577) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
PubChem CID71806577
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cn1
InChIInChI=1S/C14H17N3O3S/c1-16-10-13(9-15-16)21(18,19)17-7-8-20-14(11-17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3
InChIKeyLOIHFJBCDIIROF-UHFFFAOYSA-N
XLogP1.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127041259
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
CID 45822307
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71810691
1-Methyl-4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]sulfonylpyrazole
CID 71860561
N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide
CID 71997139
1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide
CID 71997142
N-(2-hydroxy-3-phenylpropyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 75387098
N-[2-(2-chlorophenyl)-2-methoxyethyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 76149875
1-methyl-3,5-dimethyl-4-[(R)-2-phenyl-4-morpholinylsulfonyl]pyrazole
CID 97355045
N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 75400465
(3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine
CID 164634729
(3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine
CID 164640225

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine (CID 71806577) is 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine is Cn1cc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine?
The InChIKey is LOIHFJBCDIIROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16-10-13(9-15-16)21(18,19)17-7-8-20-14(11-17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine?
4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine has a molecular weight of 307.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 71806577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).