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

C20H18F2N4O4S — CID 133291089

IUPACN-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESO=C(c1ccco1)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1
InChIInChI=1S/C20H18F2N4O4S/c21-16-5-3-14(12-17(16)22)24-31(28,29)15-4-6-19(23-13-15)25-7-9-26(10-8-25)20(27)18-2-1-11-30-18/h1-6,11-13,24H,7-10H2
InChIKeyNJMBODLECAOTTI-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.72
Rot. Bonds5

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

N-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 133291089) has the molecular formula C20H18F2N4O4S and a molecular weight of 448.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID133291089
Molecular FormulaC20H18F2N4O4S
Molecular Weight448.45 g/mol
Exact Mass448.10
IUPAC NameN-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESO=C(c1ccco1)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1
InChIInChI=1S/C20H18F2N4O4S/c21-16-5-3-14(12-17(16)22)24-31(28,29)15-4-6-19(23-13-15)25-7-9-26(10-8-25)20(27)18-2-1-11-30-18/h1-6,11-13,24H,7-10H2
InChIKeyNJMBODLECAOTTI-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-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 133291089) is N-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide is O=C(c1ccco1)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is NJMBODLECAOTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4S/c21-16-5-3-14(12-17(16)22)24-31(28,29)15-4-6-19(23-13-15)25-7-9-26(10-8-25)20(27)18-2-1-11-30-18/h1-6,11-13,24H,7-10H2.
What are the key properties of N-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[4-(furan-2-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-(3,4-difluorophenyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133291089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).