4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide

C20H19FN4O4S — CID 42850113

IUPAC4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=C(c1ccco1)N1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C20H19FN4O4S/c21-15-3-6-17(7-4-15)30(27,28)23-16-5-8-19(22-14-16)24-9-11-25(12-10-24)20(26)18-2-1-13-29-18/h1-8,13-14,23H,9-12H2
InChIKeyQHZYFMMXDMDRJQ-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.58
Rot. Bonds5

About 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide

4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 42850113) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID42850113
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=C(c1ccco1)N1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C20H19FN4O4S/c21-15-3-6-17(7-4-15)30(27,28)23-16-5-8-19(22-14-16)24-9-11-25(12-10-24)20(26)18-2-1-13-29-18/h1-8,13-14,23H,9-12H2
InChIKeyQHZYFMMXDMDRJQ-UHFFFAOYSA-N
XLogP2.58
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide (CID 42850113) is 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide is O=C(c1ccco1)N1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is QHZYFMMXDMDRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c21-15-3-6-17(7-4-15)30(27,28)23-16-5-8-19(22-14-16)24-9-11-25(12-10-24)20(26)18-2-1-13-29-18/h1-8,13-14,23H,9-12H2.
What are the key properties of 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 430.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 42850113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).