N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide

C18H19F2N3O3S — CID 133390354

IUPACN-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCCC2=CCOCC2)nc1
InChIInChI=1S/C18H19F2N3O3S/c19-16-3-1-14(11-17(16)20)23-27(24,25)15-2-4-18(22-12-15)21-8-5-13-6-9-26-10-7-13/h1-4,6,11-12,23H,5,7-10H2,(H,21,22)
InChIKeyDACFKFPNOCKEOW-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.31
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide (PubChem CID 133390354) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide
PubChem CID133390354
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC NameN-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCCC2=CCOCC2)nc1
InChIInChI=1S/C18H19F2N3O3S/c19-16-3-1-14(11-17(16)20)23-27(24,25)15-2-4-18(22-12-15)21-8-5-13-6-9-26-10-7-13/h1-4,6,11-12,23H,5,7-10H2,(H,21,22)
InChIKeyDACFKFPNOCKEOW-UHFFFAOYSA-N
XLogP3.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
CID 133496593
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133454088
N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide
CID 133355169
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
CID 113024995
N-(3,4-difluorophenyl)-6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)pyridine-3-sulfonamide
CID 133382878
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide (CID 133390354) is N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCCC2=CCOCC2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide?
The InChIKey is DACFKFPNOCKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-16-3-1-14(11-17(16)20)23-27(24,25)15-2-4-18(22-12-15)21-8-5-13-6-9-26-10-7-13/h1-4,6,11-12,23H,5,7-10H2,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide has a molecular weight of 395.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133390354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).