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

C16H11Br2N3O3S — CID 139453191

IUPACN-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C16H11Br2N3O3S/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)
InChIKeyZJJHTSVHIQZARX-UHFFFAOYSA-N
MW485.16 g/mol
LogP3.52
Rot. Bonds4

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

N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide (PubChem CID 139453191) has the molecular formula C16H11Br2N3O3S and a molecular weight of 485.16 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
PubChem CID139453191
Molecular FormulaC16H11Br2N3O3S
Molecular Weight485.16 g/mol
Exact Mass482.89
IUPAC NameN-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C16H11Br2N3O3S/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)
InChIKeyZJJHTSVHIQZARX-UHFFFAOYSA-N
XLogP3.52
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide (CID 139453191) is N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Br)cc(Br)c2)cn1.
What is the InChIKey of N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide?
The InChIKey is ZJJHTSVHIQZARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N3O3S/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-dibromophenyl)imidazole-4-carboxamide?
N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide has a molecular weight of 485.16 g/mol, XLogP of 3.52, 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-dibromophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).