N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide

C17H15F2N3O4S — CID 133359163

IUPACN-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCC(O)c2ccco2)nc1
InChIInChI=1S/C17H15F2N3O4S/c18-13-5-3-11(8-14(13)19)22-27(24,25)12-4-6-17(20-9-12)21-10-15(23)16-2-1-7-26-16/h1-9,15,22-23H,10H2,(H,20,21)
InChIKeyLMSFFGOPZBVZOF-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.90
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide (PubChem CID 133359163) has the molecular formula C17H15F2N3O4S and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
PubChem CID133359163
Molecular FormulaC17H15F2N3O4S
Molecular Weight395.39 g/mol
Exact Mass395.08
IUPAC NameN-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCC(O)c2ccco2)nc1
InChIInChI=1S/C17H15F2N3O4S/c18-13-5-3-11(8-14(13)19)22-27(24,25)12-4-6-17(20-9-12)21-10-15(23)16-2-1-7-26-16/h1-9,15,22-23H,10H2,(H,20,21)
InChIKeyLMSFFGOPZBVZOF-UHFFFAOYSA-N
XLogP2.90
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.90
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-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide (CID 133359163) is N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCC(O)c2ccco2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide?
The InChIKey is LMSFFGOPZBVZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4S/c18-13-5-3-11(8-14(13)19)22-27(24,25)12-4-6-17(20-9-12)21-10-15(23)16-2-1-7-26-16/h1-9,15,22-23H,10H2,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide has a molecular weight of 395.39 g/mol, XLogP of 2.90, 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-(furan-2-yl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133359163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).