2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide

C18H16FN3O3S — CID 52725029

IUPAC2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C18H16FN3O3S/c1-2-26(24,25)17-6-4-3-5-14(17)18(23)21-13-7-8-16(15(19)11-13)22-10-9-20-12-22/h3-12H,2H2,1H3,(H,21,23)
InChIKeyRDMNKXDWDFAAPV-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.06
Rot. Bonds5

About 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide

2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide (PubChem CID 52725029) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
PubChem CID52725029
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C18H16FN3O3S/c1-2-26(24,25)17-6-4-3-5-14(17)18(23)21-13-7-8-16(15(19)11-13)22-10-9-20-12-22/h3-12H,2H2,1H3,(H,21,23)
InChIKeyRDMNKXDWDFAAPV-UHFFFAOYSA-N
XLogP3.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide 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 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide (CID 52725029) is 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The InChIKey is RDMNKXDWDFAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-2-26(24,25)17-6-4-3-5-14(17)18(23)21-13-7-8-16(15(19)11-13)22-10-9-20-12-22/h3-12H,2H2,1H3,(H,21,23).
What are the key properties of 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide is sourced from PubChem (CID 52725029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).