N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide

C18H21ClN2O5S — CID 55981731

IUPACN-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)NCCOC)c1
InChIInChI=1S/C18H21ClN2O5S/c1-3-26-17-8-7-14(19)12-16(17)21-18(22)13-5-4-6-15(11-13)27(23,24)20-9-10-25-2/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyAFYVHYOAPIRMDB-UHFFFAOYSA-N
MW412.90 g/mol
LogP2.92
Rot. Bonds9

About N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide

N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55981731) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55981731
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)NCCOC)c1
InChIInChI=1S/C18H21ClN2O5S/c1-3-26-17-8-7-14(19)12-16(17)21-18(22)13-5-4-6-15(11-13)27(23,24)20-9-10-25-2/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyAFYVHYOAPIRMDB-UHFFFAOYSA-N
XLogP2.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 52.92
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

N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 46581552
N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
CID 61061489
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063596
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
CID 4983601
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide (CID 55981731) is N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide is CCOc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)NCCOC)c1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is AFYVHYOAPIRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-3-26-17-8-7-14(19)12-16(17)21-18(22)13-5-4-6-15(11-13)27(23,24)20-9-10-25-2/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 412.90 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55981731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).