N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide

C17H15F2N3O3S — CID 133338949

IUPACN-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccco1
InChIInChI=1S/C17H15F2N3O3S/c1-11(16-3-2-8-25-16)21-17-7-5-13(10-20-17)26(23,24)22-12-4-6-14(18)15(19)9-12/h2-11,22H,1H3,(H,20,21)
InChIKeyYISKIVXOZIVRKK-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.93
Rot. Bonds6

About N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide (PubChem CID 133338949) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
PubChem CID133338949
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccco1
InChIInChI=1S/C17H15F2N3O3S/c1-11(16-3-2-8-25-16)21-17-7-5-13(10-20-17)26(23,24)22-12-4-6-14(18)15(19)9-12/h2-11,22H,1H3,(H,20,21)
InChIKeyYISKIVXOZIVRKK-UHFFFAOYSA-N
XLogP3.93
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide (CID 133338949) is N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide is CC(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccco1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide?
The InChIKey is YISKIVXOZIVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-11(16-3-2-8-25-16)21-17-7-5-13(10-20-17)26(23,24)22-12-4-6-14(18)15(19)9-12/h2-11,22H,1H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide has a molecular weight of 379.39 g/mol, XLogP of 3.93, 6 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-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133338949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).