N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide

C18H17FN2O3S2 — CID 166521417

IUPACN-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(CN2CC(F)C2)cc1-c1ccco1)c1ccsc1
InChIInChI=1S/C18H17FN2O3S2/c19-14-10-21(11-14)9-13-3-4-17(16(8-13)18-2-1-6-24-18)20-26(22,23)15-5-7-25-12-15/h1-8,12,14,20H,9-11H2
InChIKeyYEOGJSZXOYTIFI-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.96
Rot. Bonds6

About N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide

N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide (PubChem CID 166521417) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide
PubChem CID166521417
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC NameN-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(CN2CC(F)C2)cc1-c1ccco1)c1ccsc1
InChIInChI=1S/C18H17FN2O3S2/c19-14-10-21(11-14)9-13-3-4-17(16(8-13)18-2-1-6-24-18)20-26(22,23)15-5-7-25-12-15/h1-8,12,14,20H,9-11H2
InChIKeyYEOGJSZXOYTIFI-UHFFFAOYSA-N
XLogP3.96
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide (CID 166521417) is N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(CN2CC(F)C2)cc1-c1ccco1)c1ccsc1.
What is the InChIKey of N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide?
The InChIKey is YEOGJSZXOYTIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c19-14-10-21(11-14)9-13-3-4-17(16(8-13)18-2-1-6-24-18)20-26(22,23)15-5-7-25-12-15/h1-8,12,14,20H,9-11H2.
What are the key properties of N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide?
N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 166521417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).