3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide

C22H27FN2O3S — CID 4229680

IUPAC3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-2-16-9-12-18(13-10-16)24-22(26)17-11-14-20(23)21(15-17)29(27,28)25-19-7-5-3-4-6-8-19/h9-15,19,25H,2-8H2,1H3,(H,24,26)
InChIKeyGAGCAENLEGJGJF-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.64
Rot. Bonds6

About 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide

3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide (PubChem CID 4229680) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
PubChem CID4229680
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-2-16-9-12-18(13-10-16)24-22(26)17-11-14-20(23)21(15-17)29(27,28)25-19-7-5-3-4-6-8-19/h9-15,19,25H,2-8H2,1H3,(H,24,26)
InChIKeyGAGCAENLEGJGJF-UHFFFAOYSA-N
XLogP4.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469
N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
CID 5008740
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78865460
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 7032351
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
4-amino-N-(4-ethylphenyl)-3-fluorobenzamide
CID 62678871

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide?
The IUPAC name of 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide (CID 4229680) is 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide is CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CCCCCC3)c2)cc1.
What is the InChIKey of 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide?
The InChIKey is GAGCAENLEGJGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-2-16-9-12-18(13-10-16)24-22(26)17-11-14-20(23)21(15-17)29(27,28)25-19-7-5-3-4-6-8-19/h9-15,19,25H,2-8H2,1H3,(H,24,26).
What are the key properties of 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide?
3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide has a molecular weight of 418.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 4229680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).