1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide

C20H25FN2O3S — CID 75748881

IUPAC1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
SMILESCc1cccc(C(CNS(=O)(=O)Cc2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C20H25FN2O3S/c1-16-3-2-4-18(13-16)20(23-9-11-26-12-10-23)14-22-27(24,25)15-17-5-7-19(21)8-6-17/h2-8,13,20,22H,9-12,14-15H2,1H3
InChIKeyHQLKOVJLUHUPEM-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.63
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide (PubChem CID 75748881) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
PubChem CID75748881
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
SMILESCc1cccc(C(CNS(=O)(=O)Cc2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C20H25FN2O3S/c1-16-3-2-4-18(13-16)20(23-9-11-26-12-10-23)14-22-27(24,25)15-17-5-7-19(21)8-6-17/h2-8,13,20,22H,9-12,14-15H2,1H3
InChIKeyHQLKOVJLUHUPEM-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 112506666
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 94211212
1-(2,5-difluorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 71796417
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
CID 112506527
4-acetyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55682159
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55682115
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide (CID 75748881) is 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide is Cc1cccc(C(CNS(=O)(=O)Cc2ccc(F)cc2)N2CCOCC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide?
The InChIKey is HQLKOVJLUHUPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-16-3-2-4-18(13-16)20(23-9-11-26-12-10-23)14-22-27(24,25)15-17-5-7-19(21)8-6-17/h2-8,13,20,22H,9-12,14-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide is sourced from PubChem (CID 75748881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).