1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide

C16H24ClFN2O3S — CID 131915097

IUPAC1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCOCCN1CCCC(CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H24ClFN2O3S/c1-23-8-7-20-6-2-3-13(11-20)10-19-24(21,22)12-14-4-5-15(17)9-16(14)18/h4-5,9,13,19H,2-3,6-8,10-12H2,1H3
InChIKeyXCGQLXWJCDPYMY-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.26
Rot. Bonds8

About 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide

1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 131915097) has the molecular formula C16H24ClFN2O3S and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID131915097
Molecular FormulaC16H24ClFN2O3S
Molecular Weight378.90 g/mol
Exact Mass378.12
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCOCCN1CCCC(CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H24ClFN2O3S/c1-23-8-7-20-6-2-3-13(11-20)10-19-24(21,22)12-14-4-5-15(17)9-16(14)18/h4-5,9,13,19H,2-3,6-8,10-12H2,1H3
InChIKeyXCGQLXWJCDPYMY-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 114849870
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
CID 124738268
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 114849868
1-[(4-chloro-2-fluorophenyl)methylsulfonyl]-3-methoxypiperidine
CID 131915808
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95221553
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide (CID 131915097) is 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide is COCCN1CCCC(CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is XCGQLXWJCDPYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O3S/c1-23-8-7-20-6-2-3-13(11-20)10-19-24(21,22)12-14-4-5-15(17)9-16(14)18/h4-5,9,13,19H,2-3,6-8,10-12H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide?
1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 378.90 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131915097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).