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

C18H17F2N3O4S — CID 133346450

IUPACN-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide
SMILESCC(O)(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccco1
InChIInChI=1S/C18H17F2N3O4S/c1-18(24,16-3-2-8-27-16)11-22-17-7-5-13(10-21-17)28(25,26)23-12-4-6-14(19)15(20)9-12/h2-10,23-24H,11H2,1H3,(H,21,22)
InChIKeyODUYVGJDNVTPFS-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.07
Rot. Bonds7

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

N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide (PubChem CID 133346450) has the molecular formula C18H17F2N3O4S and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide
PubChem CID133346450
Molecular FormulaC18H17F2N3O4S
Molecular Weight409.41 g/mol
Exact Mass409.09
IUPAC NameN-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide
SMILESCC(O)(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccco1
InChIInChI=1S/C18H17F2N3O4S/c1-18(24,16-3-2-8-27-16)11-22-17-7-5-13(10-21-17)28(25,26)23-12-4-6-14(19)15(20)9-12/h2-10,23-24H,11H2,1H3,(H,21,22)
InChIKeyODUYVGJDNVTPFS-UHFFFAOYSA-N
XLogP3.07
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.07
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-hydroxypropyl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide (CID 133346450) is N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide is CC(O)(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)c1ccco1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide?
The InChIKey is ODUYVGJDNVTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4S/c1-18(24,16-3-2-8-27-16)11-22-17-7-5-13(10-21-17)28(25,26)23-12-4-6-14(19)15(20)9-12/h2-10,23-24H,11H2,1H3,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-sulfonamide has a molecular weight of 409.41 g/mol, XLogP of 3.07, 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-hydroxypropyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133346450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).