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

C20H25ClN2O5S — CID 24540698

IUPAC4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1
InChIInChI=1S/C20H25ClN2O5S/c1-3-27-13-5-12-22-20(24)15-6-11-18(21)19(14-15)29(25,26)23-16-7-9-17(10-8-16)28-4-2/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyGQRRVQQABNZHEG-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.70
Rot. Bonds11

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

4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide (PubChem CID 24540698) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
PubChem CID24540698
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1
InChIInChI=1S/C20H25ClN2O5S/c1-3-27-13-5-12-22-20(24)15-6-11-18(21)19(14-15)29(25,26)23-16-7-9-17(10-8-16)28-4-2/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyGQRRVQQABNZHEG-UHFFFAOYSA-N
XLogP3.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932771
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55834264
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24547957
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30161951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide (CID 24540698) is 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide?
The InChIKey is GQRRVQQABNZHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-3-27-13-5-12-22-20(24)15-6-11-18(21)19(14-15)29(25,26)23-16-7-9-17(10-8-16)28-4-2/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide?
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide has a molecular weight of 440.95 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 24540698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).