N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide

C15H16FN3O4S — CID 72931258

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide
SMILESCCOc1ncccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C15H16FN3O4S/c1-2-23-15-10(4-3-7-18-15)9-19-14(20)12-8-11(24(17,21)22)5-6-13(12)16/h3-8H,2,9H2,1H3,(H,19,20)(H2,17,21,22)
InChIKeyGHKKBTJJYOXSFD-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.20
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide (PubChem CID 72931258) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide
PubChem CID72931258
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide
SMILESCCOc1ncccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C15H16FN3O4S/c1-2-23-15-10(4-3-7-18-15)9-19-14(20)12-8-11(24(17,21)22)5-6-13(12)16/h3-8H,2,9H2,1H3,(H,19,20)(H2,17,21,22)
InChIKeyGHKKBTJJYOXSFD-UHFFFAOYSA-N
XLogP1.20
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide 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-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide (CID 72931258) is N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide is CCOc1ncccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is GHKKBTJJYOXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-2-23-15-10(4-3-7-18-15)9-19-14(20)12-8-11(24(17,21)22)5-6-13(12)16/h3-8H,2,9H2,1H3,(H,19,20)(H2,17,21,22).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 353.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 72931258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).