5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide

C23H27FN2O3S — CID 3492598

IUPAC5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)c1
InChIInChI=1S/C23H27FN2O3S/c1-16-8-9-17(2)22(14-16)26-23(27)20-15-19(10-11-21(20)24)30(28,29)25-13-12-18-6-4-3-5-7-18/h6,8-11,14-15,25H,3-5,7,12-13H2,1-2H3,(H,26,27)
InChIKeyRJHFGZJOBRNRQX-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.86
Rot. Bonds7

About 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide

5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide (PubChem CID 3492598) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide
PubChem CID3492598
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)c1
InChIInChI=1S/C23H27FN2O3S/c1-16-8-9-17(2)22(14-16)26-23(27)20-15-19(10-11-21(20)24)30(28,29)25-13-12-18-6-4-3-5-7-18/h6,8-11,14-15,25H,3-5,7,12-13H2,1-2H3,(H,26,27)
InChIKeyRJHFGZJOBRNRQX-UHFFFAOYSA-N
XLogP4.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide (CID 3492598) is 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide is Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)c1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is RJHFGZJOBRNRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-16-8-9-17(2)22(14-16)26-23(27)20-15-19(10-11-21(20)24)30(28,29)25-13-12-18-6-4-3-5-7-18/h6,8-11,14-15,25H,3-5,7,12-13H2,1-2H3,(H,26,27).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide?
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 430.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-(2,5-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 3492598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).