N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide

C11H12Br2N4O2S — CID 62063485

IUPACN-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2c(N)cc(Br)cc2Br)cn1C
InChIInChI=1S/C11H12Br2N4O2S/c1-6-15-10(5-17(6)2)20(18,19)16-11-8(13)3-7(12)4-9(11)14/h3-5,16H,14H2,1-2H3
InChIKeyMPIKHRDAHIEDDR-UHFFFAOYSA-N
MW424.12 g/mol
LogP2.64
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 62063485) has the molecular formula C11H12Br2N4O2S and a molecular weight of 424.12 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID62063485
Molecular FormulaC11H12Br2N4O2S
Molecular Weight424.12 g/mol
Exact Mass421.90
IUPAC NameN-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2c(N)cc(Br)cc2Br)cn1C
InChIInChI=1S/C11H12Br2N4O2S/c1-6-15-10(5-17(6)2)20(18,19)16-11-8(13)3-7(12)4-9(11)14/h3-5,16H,14H2,1-2H3
InChIKeyMPIKHRDAHIEDDR-UHFFFAOYSA-N
XLogP2.64
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.12
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 62063485) is N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2c(N)cc(Br)cc2Br)cn1C.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is MPIKHRDAHIEDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4O2S/c1-6-15-10(5-17(6)2)20(18,19)16-11-8(13)3-7(12)4-9(11)14/h3-5,16H,14H2,1-2H3.
What are the key properties of N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 424.12 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62063485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).