N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide

C17H19ClN2O4S — CID 55565294

IUPACN-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O4S/c1-24-10-9-20-25(22,23)16-4-2-3-14(11-16)17(21)19-12-13-5-7-15(18)8-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21)
InChIKeyDKEGPTJBHQAJJT-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.19
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide

N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55565294) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55565294
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O4S/c1-24-10-9-20-25(22,23)16-4-2-3-14(11-16)17(21)19-12-13-5-7-15(18)8-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21)
InChIKeyDKEGPTJBHQAJJT-UHFFFAOYSA-N
XLogP2.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.19
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

N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 55749562
3-[(4-chlorophenyl)methylcarbamoyl]benzenesulfonyl chloride
CID 110823511
N-(furan-2-ylmethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063553
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 46446299
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide (CID 55565294) is N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is DKEGPTJBHQAJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-10-9-20-25(22,23)16-4-2-3-14(11-16)17(21)19-12-13-5-7-15(18)8-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide?
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 382.87 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55565294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).