4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine

C17H18FNO3S — CID 16895271

IUPAC4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H18FNO3S/c1-13-11-15(18)7-8-17(13)23(20,21)19-9-10-22-16(12-19)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3
InChIKeyBTJLVRZTTDNOMU-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.90
Rot. Bonds3

About 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine

4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine (PubChem CID 16895271) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine
PubChem CID16895271
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H18FNO3S/c1-13-11-15(18)7-8-17(13)23(20,21)19-9-10-22-16(12-19)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3
InChIKeyBTJLVRZTTDNOMU-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine 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-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine (CID 16895271) is 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine is Cc1cc(F)ccc1S(=O)(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is BTJLVRZTTDNOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-13-11-15(18)7-8-17(13)23(20,21)19-9-10-22-16(12-19)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine?
4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 335.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).