N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide

C22H19Cl2N3O4S — CID 24659997

IUPACN-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
SMILESO=C(NCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C22H19Cl2N3O4S/c23-19-10-9-18(14-20(19)24)32(30,31)27-17-8-4-7-16(13-17)22(29)26-12-11-25-21(28)15-5-2-1-3-6-15/h1-10,13-14,27H,11-12H2,(H,25,28)(H,26,29)
InChIKeyUMPCQNRWXZBSFL-UHFFFAOYSA-N
MW492.38 g/mol
LogP3.95
Rot. Bonds8

About N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide

N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide (PubChem CID 24659997) has the molecular formula C22H19Cl2N3O4S and a molecular weight of 492.38 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
PubChem CID24659997
Molecular FormulaC22H19Cl2N3O4S
Molecular Weight492.38 g/mol
Exact Mass491.05
IUPAC NameN-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
SMILESO=C(NCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C22H19Cl2N3O4S/c23-19-10-9-18(14-20(19)24)32(30,31)27-17-8-4-7-16(13-17)22(29)26-12-11-25-21(28)15-5-2-1-3-6-15/h1-10,13-14,27H,11-12H2,(H,25,28)(H,26,29)
InChIKeyUMPCQNRWXZBSFL-UHFFFAOYSA-N
XLogP3.95
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 53.95
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

3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656521
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide (CID 24659997) is N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide is O=C(NCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide?
The InChIKey is UMPCQNRWXZBSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O4S/c23-19-10-9-18(14-20(19)24)32(30,31)27-17-8-4-7-16(13-17)22(29)26-12-11-25-21(28)15-5-2-1-3-6-15/h1-10,13-14,27H,11-12H2,(H,25,28)(H,26,29).
What are the key properties of N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide?
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide has a molecular weight of 492.38 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24659997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).