3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide

C14H11FN2O3S2 — CID 9166003

IUPAC3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3)n2)o1
InChIInChI=1S/C14H11FN2O3S2/c1-9-5-6-13(20-9)12-8-21-14(16-12)17-22(18,19)11-4-2-3-10(15)7-11/h2-8H,1H3,(H,16,17)
InChIKeyMVHDMAJMMWODRJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.65
Rot. Bonds4

About 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide

3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 9166003) has the molecular formula C14H11FN2O3S2 and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID9166003
Molecular FormulaC14H11FN2O3S2
Molecular Weight338.39 g/mol
Exact Mass338.02
IUPAC Name3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3)n2)o1
InChIInChI=1S/C14H11FN2O3S2/c1-9-5-6-13(20-9)12-8-21-14(16-12)17-22(18,19)11-4-2-3-10(15)7-11/h2-8H,1H3,(H,16,17)
InChIKeyMVHDMAJMMWODRJ-UHFFFAOYSA-N
XLogP3.65
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 9166003) is 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide is Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3)n2)o1.
What is the InChIKey of 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is MVHDMAJMMWODRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S2/c1-9-5-6-13(20-9)12-8-21-14(16-12)17-22(18,19)11-4-2-3-10(15)7-11/h2-8H,1H3,(H,16,17).
What are the key properties of 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 338.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 9166003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).