N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide

C20H18F2N4O4S — CID 133351843

IUPACN-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESO=C(c1ccoc1)N1CCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)CC1
InChIInChI=1S/C20H18F2N4O4S/c21-15-9-16(22)11-17(10-15)24-31(28,29)18-1-2-19(23-12-18)25-4-6-26(7-5-25)20(27)14-3-8-30-13-14/h1-3,8-13,24H,4-7H2
InChIKeyKSYUIZAJKNDWFW-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.72
Rot. Bonds5

About N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide

N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 133351843) has the molecular formula C20H18F2N4O4S and a molecular weight of 448.45 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID133351843
Molecular FormulaC20H18F2N4O4S
Molecular Weight448.45 g/mol
Exact Mass448.10
IUPAC NameN-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESO=C(c1ccoc1)N1CCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)CC1
InChIInChI=1S/C20H18F2N4O4S/c21-15-9-16(22)11-17(10-15)24-31(28,29)18-1-2-19(23-12-18)25-4-6-26(7-5-25)20(27)14-3-8-30-13-14/h1-3,8-13,24H,4-7H2
InChIKeyKSYUIZAJKNDWFW-UHFFFAOYSA-N
XLogP2.72
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 133351843) is N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide is O=C(c1ccoc1)N1CCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)CC1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is KSYUIZAJKNDWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4S/c21-15-9-16(22)11-17(10-15)24-31(28,29)18-1-2-19(23-12-18)25-4-6-26(7-5-25)20(27)14-3-8-30-13-14/h1-3,8-13,24H,4-7H2.
What are the key properties of N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide?
N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 448.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133351843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).