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

C19H17F2N3O3S — CID 133345958

IUPACN-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC2c2ccco2)nc1
InChIInChI=1S/C19H17F2N3O3S/c20-15-7-5-13(11-16(15)21)23-28(25,26)14-6-8-19(22-12-14)24-9-1-3-17(24)18-4-2-10-27-18/h2,4-8,10-12,17,23H,1,3,9H2
InChIKeySERIXDXYEQYIEA-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.10
Rot. Bonds5

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

N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide (PubChem CID 133345958) has the molecular formula C19H17F2N3O3S and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide
PubChem CID133345958
Molecular FormulaC19H17F2N3O3S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC NameN-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC2c2ccco2)nc1
InChIInChI=1S/C19H17F2N3O3S/c20-15-7-5-13(11-16(15)21)23-28(25,26)14-6-8-19(22-12-14)24-9-1-3-17(24)18-4-2-10-27-18/h2,4-8,10-12,17,23H,1,3,9H2
InChIKeySERIXDXYEQYIEA-UHFFFAOYSA-N
XLogP4.10
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide (CID 133345958) is N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC2c2ccco2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is SERIXDXYEQYIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S/c20-15-7-5-13(11-16(15)21)23-28(25,26)14-6-8-19(22-12-14)24-9-1-3-17(24)18-4-2-10-27-18/h2,4-8,10-12,17,23H,1,3,9H2.
What are the key properties of N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 405.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133345958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).