(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

C17H23N3O3S — CID 99827504

IUPAC(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCc1ccccc1S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1
InChIInChI=1S/C17H23N3O3S/c1-3-14-7-5-6-8-17(14)24(21,22)20-9-10-23-16(13-20)15-11-18-19(4-2)12-15/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3/t16-/m0/s1
InChIKeyNUQPZGQGKLUJJA-INIZCTEOSA-N
MW349.46 g/mol
LogP2.23
Rot. Bonds5

About (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 99827504) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID99827504
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCc1ccccc1S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1
InChIInChI=1S/C17H23N3O3S/c1-3-14-7-5-6-8-17(14)24(21,22)20-9-10-23-16(13-20)15-11-18-19(4-2)12-15/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3/t16-/m0/s1
InChIKeyNUQPZGQGKLUJJA-INIZCTEOSA-N
XLogP2.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (CID 99827504) is (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is CCc1ccccc1S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1.
What is the InChIKey of (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is NUQPZGQGKLUJJA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-14-7-5-6-8-17(14)24(21,22)20-9-10-23-16(13-20)15-11-18-19(4-2)12-15/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 349.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 99827504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).