1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide

C19H23FN2O3S — CID 110359724

IUPAC1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c1-25-19-10-9-17(22-11-3-2-4-12-22)13-18(19)21-26(23,24)14-15-5-7-16(20)8-6-15/h5-10,13,21H,2-4,11-12,14H2,1H3
InChIKeySCDAEKBIJHVSIE-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.77
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide

1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide (PubChem CID 110359724) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
PubChem CID110359724
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c1-25-19-10-9-17(22-11-3-2-4-12-22)13-18(19)21-26(23,24)14-15-5-7-16(20)8-6-15/h5-10,13,21H,2-4,11-12,14H2,1H3
InChIKeySCDAEKBIJHVSIE-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110613184
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
1-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 110363861
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110362270
1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 99949913
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide
CID 110361957
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide (CID 110359724) is 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide is COc1ccc(N2CCCCC2)cc1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide?
The InChIKey is SCDAEKBIJHVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-25-19-10-9-17(22-11-3-2-4-12-22)13-18(19)21-26(23,24)14-15-5-7-16(20)8-6-15/h5-10,13,21H,2-4,11-12,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 3.77, 6 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-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 110359724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).