1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide

C17H27FN2O3S — CID 110403334

IUPAC1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide
SMILESCC(C)CC(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H27FN2O3S/c1-14(2)11-17(20-7-9-23-10-8-20)12-19-24(21,22)13-15-3-5-16(18)6-4-15/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyWECUUWZVFIWZBQ-UHFFFAOYSA-N
MW358.48 g/mol
LogP1.99
Rot. Bonds8

About 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide

1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide (PubChem CID 110403334) has the molecular formula C17H27FN2O3S and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide
PubChem CID110403334
Molecular FormulaC17H27FN2O3S
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide
SMILESCC(C)CC(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H27FN2O3S/c1-14(2)11-17(20-7-9-23-10-8-20)12-19-24(21,22)13-15-3-5-16(18)6-4-15/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyWECUUWZVFIWZBQ-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine
CID 660759
N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanesulfonamide
CID 76332110
N-(2-morpholin-4-ylethyl)-1-phenylmethanesulfonamide
CID 798761
1-(4-fluorophenyl)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)methanesulfonamide
CID 16887674
1-(2-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]methanesulfonamide
CID 17641858
1-(4-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide
CID 17741067
1-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide
CID 17741239
1-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide
CID 17741540
4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
CID 18083640
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylethenesulfonamide
CID 45835933
N-[[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine
CID 53576288
1-[(3-Fluorophenyl)methylsulfonyl]-4-(2-methylpropoxy)piperidine
CID 53622598

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide (CID 110403334) is 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide is CC(C)CC(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide?
The InChIKey is WECUUWZVFIWZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O3S/c1-14(2)11-17(20-7-9-23-10-8-20)12-19-24(21,22)13-15-3-5-16(18)6-4-15/h3-6,14,17,19H,7-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide has a molecular weight of 358.48 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)methanesulfonamide is sourced from PubChem (CID 110403334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).