5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide

C23H27FN2O3S — CID 90284669

IUPAC5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide
SMILESCCN(C1=CCCCC1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C23H27FN2O3S/c1-4-26(19-8-6-5-7-9-19)30(28,29)20-10-11-22(24)21(15-20)23(27)25-18-13-16(2)12-17(3)14-18/h8,10-15H,4-7,9H2,1-3H3,(H,25,27)
InChIKeyGFEVCQRGBPBIQK-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.16
Rot. Bonds6

About 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide

5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide (PubChem CID 90284669) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide
PubChem CID90284669
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide
SMILESCCN(C1=CCCCC1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C23H27FN2O3S/c1-4-26(19-8-6-5-7-9-19)30(28,29)20-10-11-22(24)21(15-20)23(27)25-18-13-16(2)12-17(3)14-18/h8,10-15H,4-7,9H2,1-3H3,(H,25,27)
InChIKeyGFEVCQRGBPBIQK-UHFFFAOYSA-N
XLogP5.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide 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 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide (CID 90284669) is 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide is CCN(C1=CCCCC1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is GFEVCQRGBPBIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-4-26(19-8-6-5-7-9-19)30(28,29)20-10-11-22(24)21(15-20)23(27)25-18-13-16(2)12-17(3)14-18/h8,10-15H,4-7,9H2,1-3H3,(H,25,27).
What are the key properties of 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide?
5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 430.55 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 90284669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).