N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide

C23H22ClN3O4S — CID 55659262

IUPACN-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H22ClN3O4S/c24-21-12-5-4-11-20(21)23(29)26-14-13-25-22(28)18-9-6-10-19(15-18)32(30,31)27-16-17-7-2-1-3-8-17/h1-12,15,27H,13-14,16H2,(H,25,28)(H,26,29)
InChIKeyDWTYCCFXVRDOOZ-UHFFFAOYSA-N
MW471.97 g/mol
LogP2.98
Rot. Bonds9

About N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide

N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide (PubChem CID 55659262) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
PubChem CID55659262
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H22ClN3O4S/c24-21-12-5-4-11-20(21)23(29)26-14-13-25-22(28)18-9-6-10-19(15-18)32(30,31)27-16-17-7-2-1-3-8-17/h1-12,15,27H,13-14,16H2,(H,25,28)(H,26,29)
InChIKeyDWTYCCFXVRDOOZ-UHFFFAOYSA-N
XLogP2.98
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 27770474
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
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N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
CID 134027622
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
CID 130431453
3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
CID 26637708
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 60598425

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide (CID 55659262) is N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide is O=C(NCCNC(=O)c1ccccc1Cl)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide?
The InChIKey is DWTYCCFXVRDOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c24-21-12-5-4-11-20(21)23(29)26-14-13-25-22(28)18-9-6-10-19(15-18)32(30,31)27-16-17-7-2-1-3-8-17/h1-12,15,27H,13-14,16H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide?
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide has a molecular weight of 471.97 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide is sourced from PubChem (CID 55659262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).