N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide

C24H21FN4O2S — CID 66829565

IUPACN-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C24H21FN4O2S/c1-32(30,31)29-24-8-2-7-23(28-24)22-14-20(25)10-9-17(22)13-21(18-5-3-11-26-15-18)19-6-4-12-27-16-19/h2-12,14-16,21H,13H2,1H3,(H,28,29)
InChIKeyKPACJCOTCCWGJG-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.42
Rot. Bonds7

About N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide

N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide (PubChem CID 66829565) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide
PubChem CID66829565
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C24H21FN4O2S/c1-32(30,31)29-24-8-2-7-23(28-24)22-14-20(25)10-9-17(22)13-21(18-5-3-11-26-15-18)19-6-4-12-27-16-19/h2-12,14-16,21H,13H2,1H3,(H,28,29)
InChIKeyKPACJCOTCCWGJG-UHFFFAOYSA-N
XLogP4.42
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264973
N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide
CID 66829347
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
CID 66829446
N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
CID 11676868
2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021137
N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
CID 11619562
3-[2-(3-fluorophenyl)-2-phenylethyl]pyridine
CID 176898824
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
CID 114347672
3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine
CID 66829378
3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628763
3-[1-(4-fluoro-2-pyridin-4-ylphenyl)-2-pyridin-3-ylethyl]pyridine
CID 69287333
N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
CID 43731864

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide (CID 66829565) is N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is KPACJCOTCCWGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-32(30,31)29-24-8-2-7-23(28-24)22-14-20(25)10-9-17(22)13-21(18-5-3-11-26-15-18)19-6-4-12-27-16-19/h2-12,14-16,21H,13H2,1H3,(H,28,29).
What are the key properties of N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide?
N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 448.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 66829565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).