4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine

C18H21NO3S — CID 45199529

IUPAC4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
SMILESO=S(=O)(c1ccccc1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C18H21NO3S/c20-23(21,18-9-5-2-6-10-18)19-13-14-22-17(15-19)12-11-16-7-3-1-4-8-16/h1-10,17H,11-15H2
InChIKeyVAHWCQOZSBEBAY-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.71
Rot. Bonds5

About 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine

4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine (PubChem CID 45199529) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
PubChem CID45199529
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
SMILESO=S(=O)(c1ccccc1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C18H21NO3S/c20-23(21,18-9-5-2-6-10-18)19-13-14-22-17(15-19)12-11-16-7-3-1-4-8-16/h1-10,17H,11-15H2
InChIKeyVAHWCQOZSBEBAY-UHFFFAOYSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine (CID 45199529) is 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine is O=S(=O)(c1ccccc1)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine?
The InChIKey is VAHWCQOZSBEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-23(21,18-9-5-2-6-10-18)19-13-14-22-17(15-19)12-11-16-7-3-1-4-8-16/h1-10,17H,11-15H2.
What are the key properties of 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine?
4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine has a molecular weight of 331.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 45199529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).