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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Related Compounds

6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133351779
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 43462002
N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
CID 133354657
furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334677
furan-3-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343060
N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255857
4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521856
1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea
CID 46161079
N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55616731
4-fluoro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011178
N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 42856893
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605

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).