5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide

C19H23FN2O3S — CID 86966758

IUPAC5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1N1CCCC(NS(=O)(=O)c2cc(F)ccc2C)C1
InChIInChI=1S/C19H23FN2O3S/c1-14-9-10-15(20)12-19(14)26(23,24)21-16-6-5-11-22(13-16)17-7-3-4-8-18(17)25-2/h3-4,7-10,12,16,21H,5-6,11,13H2,1-2H3
InChIKeyHFKYILWPTOUKHC-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.09
Rot. Bonds5

About 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide

5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 86966758) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide
PubChem CID86966758
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1N1CCCC(NS(=O)(=O)c2cc(F)ccc2C)C1
InChIInChI=1S/C19H23FN2O3S/c1-14-9-10-15(20)12-19(14)26(23,24)21-16-6-5-11-22(13-16)17-7-3-4-8-18(17)25-2/h3-4,7-10,12,16,21H,5-6,11,13H2,1-2H3
InChIKeyHFKYILWPTOUKHC-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide
CID 86966755
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
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-6-nitrobenzenesulfonamide
CID 86966778
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
1-(2-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 86966765
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
N-[1-(2-methoxyphenyl)piperidin-3-yl]-6-methylpyridin-2-amine
CID 133483342
N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 74324161
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
[(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone
CID 42214782

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide (CID 86966758) is 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide is COc1ccccc1N1CCCC(NS(=O)(=O)c2cc(F)ccc2C)C1.
What is the InChIKey of 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is HFKYILWPTOUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14-9-10-15(20)12-19(14)26(23,24)21-16-6-5-11-22(13-16)17-7-3-4-8-18(17)25-2/h3-4,7-10,12,16,21H,5-6,11,13H2,1-2H3.
What are the key properties of 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide?
5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 86966758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).