3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide

C19H19ClN4O3S — CID 35513232

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H19ClN4O3S/c20-16-5-2-6-17(13-16)23-28(26,27)18-7-1-4-15(12-18)19(25)22-8-3-10-24-11-9-21-14-24/h1-2,4-7,9,11-14,23H,3,8,10H2,(H,22,25)
InChIKeyCNYULKUGGNNNOX-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.16
Rot. Bonds8

About 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide

3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 35513232) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID35513232
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H19ClN4O3S/c20-16-5-2-6-17(13-16)23-28(26,27)18-7-1-4-15(12-18)19(25)22-8-3-10-24-11-9-21-14-24/h1-2,4-7,9,11-14,23H,3,8,10H2,(H,22,25)
InChIKeyCNYULKUGGNNNOX-UHFFFAOYSA-N
XLogP3.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide
CID 55975766
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 55725020
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 24560167
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide (CID 35513232) is 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is CNYULKUGGNNNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-16-5-2-6-17(13-16)23-28(26,27)18-7-1-4-15(12-18)19(25)22-8-3-10-24-11-9-21-14-24/h1-2,4-7,9,11-14,23H,3,8,10H2,(H,22,25).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 418.91 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 35513232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).