4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide

C18H20ClFN2O4S — CID 24540699

IUPAC4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H20ClFN2O4S/c1-2-26-11-3-10-21-18(23)13-4-9-16(19)17(12-13)27(24,25)22-15-7-5-14(20)6-8-15/h4-9,12,22H,2-3,10-11H2,1H3,(H,21,23)
InChIKeyMIQICNCTQGOFTH-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.44
Rot. Bonds9

About 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide

4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 24540699) has the molecular formula C18H20ClFN2O4S and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID24540699
Molecular FormulaC18H20ClFN2O4S
Molecular Weight414.89 g/mol
Exact Mass414.08
IUPAC Name4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H20ClFN2O4S/c1-2-26-11-3-10-21-18(23)13-4-9-16(19)17(12-13)27(24,25)22-15-7-5-14(20)6-8-15/h4-9,12,22H,2-3,10-11H2,1H3,(H,21,23)
InChIKeyMIQICNCTQGOFTH-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 35008871
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24547957

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide (CID 24540699) is 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide is CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is MIQICNCTQGOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4S/c1-2-26-11-3-10-21-18(23)13-4-9-16(19)17(12-13)27(24,25)22-15-7-5-14(20)6-8-15/h4-9,12,22H,2-3,10-11H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide?
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 414.89 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24540699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).