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

C16H11Cl2N3O3S — CID 139453021

IUPACN-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C16H11Cl2N3O3S/c17-11-6-12(18)8-13(7-11)21-9-15(19-10-21)16(22)20-25(23,24)14-4-2-1-3-5-14/h1-10H,(H,20,22)
InChIKeyFFQWFHRMVBPJMZ-UHFFFAOYSA-N
MW396.26 g/mol
LogP3.30
Rot. Bonds4

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

N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide (PubChem CID 139453021) has the molecular formula C16H11Cl2N3O3S and a molecular weight of 396.26 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
PubChem CID139453021
Molecular FormulaC16H11Cl2N3O3S
Molecular Weight396.26 g/mol
Exact Mass394.99
IUPAC NameN-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C16H11Cl2N3O3S/c17-11-6-12(18)8-13(7-11)21-9-15(19-10-21)16(22)20-25(23,24)14-4-2-1-3-5-14/h1-10H,(H,20,22)
InChIKeyFFQWFHRMVBPJMZ-UHFFFAOYSA-N
XLogP3.30
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide
CID 139453257
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099
N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
CID 139453191
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
1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453276
1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
CID 146154715
N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
CID 139453339
N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453068
N-(2-chlorophenyl)sulfonyl-1-(2,6-dichlorophenyl)imidazole-4-carboxamide
CID 139453065
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide (CID 139453021) is N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide?
The InChIKey is FFQWFHRMVBPJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3S/c17-11-6-12(18)8-13(7-11)21-9-15(19-10-21)16(22)20-25(23,24)14-4-2-1-3-5-14/h1-10H,(H,20,22).
What are the key properties of N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide?
N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide has a molecular weight of 396.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).