N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide

C19H19F2N3O4S — CID 133346441

IUPACN-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide
SMILESCc1ccc(C(C)(O)CNc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)o1
InChIInChI=1S/C19H19F2N3O4S/c1-12-3-7-17(28-12)19(2,25)11-23-18-8-5-14(10-22-18)29(26,27)24-13-4-6-15(20)16(21)9-13/h3-10,24-25H,11H2,1-2H3,(H,22,23)
InChIKeyGYAQKNTWLNESMM-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.38
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide (PubChem CID 133346441) has the molecular formula C19H19F2N3O4S and a molecular weight of 423.44 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide
PubChem CID133346441
Molecular FormulaC19H19F2N3O4S
Molecular Weight423.44 g/mol
Exact Mass423.11
IUPAC NameN-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide
SMILESCc1ccc(C(C)(O)CNc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)o1
InChIInChI=1S/C19H19F2N3O4S/c1-12-3-7-17(28-12)19(2,25)11-23-18-8-5-14(10-22-18)29(26,27)24-13-4-6-15(20)16(21)9-13/h3-10,24-25H,11H2,1-2H3,(H,22,23)
InChIKeyGYAQKNTWLNESMM-UHFFFAOYSA-N
XLogP3.38
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide (CID 133346441) is N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide is Cc1ccc(C(C)(O)CNc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)o1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide?
The InChIKey is GYAQKNTWLNESMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4S/c1-12-3-7-17(28-12)19(2,25)11-23-18-8-5-14(10-22-18)29(26,27)24-13-4-6-15(20)16(21)9-13/h3-10,24-25H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide has a molecular weight of 423.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133346441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).