N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide

C16H15F2N5O3S — CID 133314068

IUPACN-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
SMILESCc1noc(CCNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)n1
InChIInChI=1S/C16H15F2N5O3S/c1-10-21-16(26-22-10)4-5-19-15-3-2-14(9-20-15)27(24,25)23-13-7-11(17)6-12(18)8-13/h2-3,6-9,23H,4-5H2,1H3,(H,19,20)
InChIKeyLRQKVXSJDODHEH-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.51
Rot. Bonds7

About N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide

N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide (PubChem CID 133314068) has the molecular formula C16H15F2N5O3S and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
PubChem CID133314068
Molecular FormulaC16H15F2N5O3S
Molecular Weight395.39 g/mol
Exact Mass395.09
IUPAC NameN-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
SMILESCc1noc(CCNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)n1
InChIInChI=1S/C16H15F2N5O3S/c1-10-21-16(26-22-10)4-5-19-15-3-2-14(9-20-15)27(24,25)23-13-7-11(17)6-12(18)8-13/h2-3,6-9,23H,4-5H2,1H3,(H,19,20)
InChIKeyLRQKVXSJDODHEH-UHFFFAOYSA-N
XLogP2.51
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880029
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 133351813
4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61311972
6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133351614
N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133399653

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide (CID 133314068) is N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide is Cc1noc(CCNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)n1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide?
The InChIKey is LRQKVXSJDODHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3S/c1-10-21-16(26-22-10)4-5-19-15-3-2-14(9-20-15)27(24,25)23-13-7-11(17)6-12(18)8-13/h2-3,6-9,23H,4-5H2,1H3,(H,19,20).
What are the key properties of N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide?
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide has a molecular weight of 395.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133314068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).