1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide

C16H9BrCl3N3O3S — CID 139453276

IUPAC1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(Cl)c(Br)c(Cl)c2)cn1
InChIInChI=1S/C16H9BrCl3N3O3S/c17-15-11(19)5-9(6-12(15)20)23-7-13(21-8-23)16(24)22-27(25,26)14-4-2-1-3-10(14)18/h1-8H,(H,22,24)
InChIKeyMRURFJHVPNCKOU-UHFFFAOYSA-N
MW509.60 g/mol
LogP4.71
Rot. Bonds4

About 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide

1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide (PubChem CID 139453276) has the molecular formula C16H9BrCl3N3O3S and a molecular weight of 509.60 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
PubChem CID139453276
Molecular FormulaC16H9BrCl3N3O3S
Molecular Weight509.60 g/mol
Exact Mass506.86
IUPAC Name1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(Cl)c(Br)c(Cl)c2)cn1
InChIInChI=1S/C16H9BrCl3N3O3S/c17-15-11(19)5-9(6-12(15)20)23-7-13(21-8-23)16(24)22-27(25,26)14-4-2-1-3-10(14)18/h1-8H,(H,22,24)
InChIKeyMRURFJHVPNCKOU-UHFFFAOYSA-N
XLogP4.71
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)sulfonyl-1-(2,6-dichlorophenyl)imidazole-4-carboxamide
CID 139453065
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977
N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453068
N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide
CID 139453257
N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
CID 139453021
N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
CID 139453191
N-(2,5-dichlorophenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453060
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158
N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139452892
N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453195
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide?
The IUPAC name of 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide (CID 139453276) is 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(Cl)c(Br)c(Cl)c2)cn1.
What is the InChIKey of 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide?
The InChIKey is MRURFJHVPNCKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl3N3O3S/c17-15-11(19)5-9(6-12(15)20)23-7-13(21-8-23)16(24)22-27(25,26)14-4-2-1-3-10(14)18/h1-8H,(H,22,24).
What are the key properties of 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide?
1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide has a molecular weight of 509.60 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 139453276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).