3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide

C19H18Cl2N4O3S — CID 35513286

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H18Cl2N4O3S/c20-17-6-5-16(12-18(17)21)29(27,28)24-15-4-1-3-14(11-15)19(26)23-7-2-9-25-10-8-22-13-25/h1,3-6,8,10-13,24H,2,7,9H2,(H,23,26)
InChIKeyAXOBIXYOYASZLU-UHFFFAOYSA-N
MW453.35 g/mol
LogP3.81
Rot. Bonds8

About 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 35513286) has the molecular formula C19H18Cl2N4O3S and a molecular weight of 453.35 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID35513286
Molecular FormulaC19H18Cl2N4O3S
Molecular Weight453.35 g/mol
Exact Mass452.05
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H18Cl2N4O3S/c20-17-6-5-16(12-18(17)21)29(27,28)24-15-4-1-3-14(11-15)19(26)23-7-2-9-25-10-8-22-13-25/h1,3-6,8,10-13,24H,2,7,9H2,(H,23,26)
InChIKeyAXOBIXYOYASZLU-UHFFFAOYSA-N
XLogP3.81
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 53.81
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

3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide
CID 55975766
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656521
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087
4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 30944265
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide (CID 35513286) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is AXOBIXYOYASZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3S/c20-17-6-5-16(12-18(17)21)29(27,28)24-15-4-1-3-14(11-15)19(26)23-7-2-9-25-10-8-22-13-25/h1,3-6,8,10-13,24H,2,7,9H2,(H,23,26).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 453.35 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 35513286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).