N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

C21H21FN2O2S — CID 23521698

IUPACN-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(F)c2ccccc2)c1
InChIInChI=1S/C21H21FN2O2S/c1-2-27(25,26)24(16-17-8-7-13-23-15-17)20-12-6-11-19(14-20)21(22)18-9-4-3-5-10-18/h3-15,21H,2,16H2,1H3
InChIKeyVDKCBRJPJMMTEC-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.50
Rot. Bonds7

About N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 23521698) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID23521698
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(F)c2ccccc2)c1
InChIInChI=1S/C21H21FN2O2S/c1-2-27(25,26)24(16-17-8-7-13-23-15-17)20-12-6-11-19(14-20)21(22)18-9-4-3-5-10-18/h3-15,21H,2,16H2,1H3
InChIKeyVDKCBRJPJMMTEC-UHFFFAOYSA-N
XLogP4.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cbipes
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3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
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{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
Ethanesulfonic acid [3-(1-phenyl-ethyl)-phenyl]-pyridin-3-ylmethyl-amide
CID 10249222
4'',5''-Difluoro-2''-(6-methyl-pyridin-3-yl)-biphenyl-4-sulfonic acid amide
CID 10713528
4'',5''-Difluoro-2''-(5-methyl-pyridin-2-yl)-biphenyl-4-sulfonic acid amide
CID 10784741
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-phenylpyrrolidin-3-yl)propane-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 23521698) is N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(F)c2ccccc2)c1.
What is the InChIKey of N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is VDKCBRJPJMMTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-2-27(25,26)24(16-17-8-7-13-23-15-17)20-12-6-11-19(14-20)21(22)18-9-4-3-5-10-18/h3-15,21H,2,16H2,1H3.
What are the key properties of N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[fluoro(phenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 23521698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).