N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide

C15H17F2N3O3S — CID 133351839

IUPACN-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
SMILESCC(C)(O)CNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C15H17F2N3O3S/c1-15(2,21)9-19-14-4-3-13(8-18-14)24(22,23)20-12-6-10(16)5-11(17)7-12/h3-8,20-21H,9H2,1-2H3,(H,18,19)
InChIKeyYJATYIHFBMZMKM-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.34
Rot. Bonds6

About N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide

N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide (PubChem CID 133351839) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
PubChem CID133351839
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC NameN-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
SMILESCC(C)(O)CNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C15H17F2N3O3S/c1-15(2,21)9-19-14-4-3-13(8-18-14)24(22,23)20-12-6-10(16)5-11(17)7-12/h3-8,20-21H,9H2,1-2H3,(H,18,19)
InChIKeyYJATYIHFBMZMKM-UHFFFAOYSA-N
XLogP2.34
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.34
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-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 133351813
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
CID 133314068
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133399653
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide
CID 133372819

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide (CID 133351839) is N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide is CC(C)(O)CNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide?
The InChIKey is YJATYIHFBMZMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c1-15(2,21)9-19-14-4-3-13(8-18-14)24(22,23)20-12-6-10(16)5-11(17)7-12/h3-8,20-21H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide?
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide has a molecular weight of 357.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133351839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).