N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide

C20H19F2N3O3S — CID 133345839

IUPACN-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
SMILESCC(O)(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccccc1
InChIInChI=1S/C20H19F2N3O3S/c1-20(26,14-5-3-2-4-6-14)13-24-19-10-8-16(12-23-19)29(27,28)25-15-7-9-17(21)18(22)11-15/h2-12,25-26H,13H2,1H3,(H,23,24)
InChIKeyAASNJPQFWHLWSB-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.48
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide (PubChem CID 133345839) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
PubChem CID133345839
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC NameN-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
SMILESCC(O)(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccccc1
InChIInChI=1S/C20H19F2N3O3S/c1-20(26,14-5-3-2-4-6-14)13-24-19-10-8-16(12-23-19)29(27,28)25-15-7-9-17(21)18(22)11-15/h2-12,25-26H,13H2,1H3,(H,23,24)
InChIKeyAASNJPQFWHLWSB-UHFFFAOYSA-N
XLogP3.48
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
CID 133496593
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133454088
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206
N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide
CID 133338957
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555
N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide
CID 133359425
N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide
CID 133390354

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide (CID 133345839) is N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide is CC(O)(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccccc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide?
The InChIKey is AASNJPQFWHLWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-20(26,14-5-3-2-4-6-14)13-24-19-10-8-16(12-23-19)29(27,28)25-15-7-9-17(21)18(22)11-15/h2-12,25-26H,13H2,1H3,(H,23,24).
What are the key properties of N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide has a molecular weight of 419.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133345839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).