2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide

C18H20F2N2O3S — CID 86966755

IUPAC2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide
SMILESCOc1ccccc1N1CCCC(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C18H20F2N2O3S/c1-25-17-7-3-2-6-16(17)22-10-4-5-14(12-22)21-26(23,24)18-11-13(19)8-9-15(18)20/h2-3,6-9,11,14,21H,4-5,10,12H2,1H3
InChIKeyFPTQOZSHHPUULJ-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.92
Rot. Bonds5

About 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide

2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide (PubChem CID 86966755) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide
PubChem CID86966755
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide
SMILESCOc1ccccc1N1CCCC(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C18H20F2N2O3S/c1-25-17-7-3-2-6-16(17)22-10-4-5-14(12-22)21-26(23,24)18-11-13(19)8-9-15(18)20/h2-3,6-9,11,14,21H,4-5,10,12H2,1H3
InChIKeyFPTQOZSHHPUULJ-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide
CID 86966758
2-bromo-4-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide
CID 86966763
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-3-nitrobenzenesulfonamide
CID 86966747
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-6-nitrobenzenesulfonamide
CID 86966778
1-(2-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 86966765
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide (CID 86966755) is 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide is COc1ccccc1N1CCCC(NS(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide?
The InChIKey is FPTQOZSHHPUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-25-17-7-3-2-6-16(17)22-10-4-5-14(12-22)21-26(23,24)18-11-13(19)8-9-15(18)20/h2-3,6-9,11,14,21H,4-5,10,12H2,1H3.
What are the key properties of 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide?
2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide has a molecular weight of 382.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 86966755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).