N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide

C16H10Cl3N3O3S — CID 139453257

IUPACN-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Cl)c(Cl)c(Cl)c2)cn1
InChIInChI=1S/C16H10Cl3N3O3S/c17-12-6-10(7-13(18)15(12)19)22-8-14(20-9-22)16(23)21-26(24,25)11-4-2-1-3-5-11/h1-9H,(H,21,23)
InChIKeyVKFAZJSJIFSCTJ-UHFFFAOYSA-N
MW430.70 g/mol
LogP3.95
Rot. Bonds4

About N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide

N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide (PubChem CID 139453257) has the molecular formula C16H10Cl3N3O3S and a molecular weight of 430.70 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide
PubChem CID139453257
Molecular FormulaC16H10Cl3N3O3S
Molecular Weight430.70 g/mol
Exact Mass428.95
IUPAC NameN-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Cl)c(Cl)c(Cl)c2)cn1
InChIInChI=1S/C16H10Cl3N3O3S/c17-12-6-10(7-13(18)15(12)19)22-8-14(20-9-22)16(23)21-26(24,25)11-4-2-1-3-5-11/h1-9H,(H,21,23)
InChIKeyVKFAZJSJIFSCTJ-UHFFFAOYSA-N
XLogP3.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide 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

N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
CID 139453021
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099
N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
CID 139453191
1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453276
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453195
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977
N-(2-chlorophenyl)sulfonyl-1-(2,6-dichlorophenyl)imidazole-4-carboxamide
CID 139453065
N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453068
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158
1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
CID 146154715
N-(2,5-dichlorophenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453060

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide (CID 139453257) is N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Cl)c(Cl)c(Cl)c2)cn1.
What is the InChIKey of N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide?
The InChIKey is VKFAZJSJIFSCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N3O3S/c17-12-6-10(7-13(18)15(12)19)22-8-14(20-9-22)16(23)21-26(24,25)11-4-2-1-3-5-11/h1-9H,(H,21,23).
What are the key properties of N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide?
N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide has a molecular weight of 430.70 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).