N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

C17H11FN2O4S2 — CID 25331204

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O4S2/c18-11-5-7-12(8-6-11)26(21,22)20-17-19-15(13-3-1-9-23-13)16(25-17)14-4-2-10-24-14/h1-10H,(H,19,20)
InChIKeyBFGOYPDCPYMMKX-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.60
Rot. Bonds5

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 25331204) has the molecular formula C17H11FN2O4S2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
PubChem CID25331204
Molecular FormulaC17H11FN2O4S2
Molecular Weight390.42 g/mol
Exact Mass390.01
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O4S2/c18-11-5-7-12(8-6-11)26(21,22)20-17-19-15(13-3-1-9-23-13)16(25-17)14-4-2-10-24-14/h1-10H,(H,19,20)
InChIKeyBFGOYPDCPYMMKX-UHFFFAOYSA-N
XLogP4.60
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (CID 25331204) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is BFGOYPDCPYMMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O4S2/c18-11-5-7-12(8-6-11)26(21,22)20-17-19-15(13-3-1-9-23-13)16(25-17)14-4-2-10-24-14/h1-10H,(H,19,20).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 390.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 25331204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).