N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide

C11H11BrIN3O2S — CID 114259506

IUPACN-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(I)ccc2Br)[nH]1
InChIInChI=1S/C11H11BrIN3O2S/c1-2-10-14-6-11(15-10)19(17,18)16-9-5-7(13)3-4-8(9)12/h3-6,16H,2H2,1H3,(H,14,15)
InChIKeyQJKSWGCEWMEUAQ-UHFFFAOYSA-N
MW456.10 g/mol
LogP3.14
Rot. Bonds4

About N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 114259506) has the molecular formula C11H11BrIN3O2S and a molecular weight of 456.10 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID114259506
Molecular FormulaC11H11BrIN3O2S
Molecular Weight456.10 g/mol
Exact Mass454.88
IUPAC NameN-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(I)ccc2Br)[nH]1
InChIInChI=1S/C11H11BrIN3O2S/c1-2-10-14-6-11(15-10)19(17,18)16-9-5-7(13)3-4-8(9)12/h3-6,16H,2H2,1H3,(H,14,15)
InChIKeyQJKSWGCEWMEUAQ-UHFFFAOYSA-N
XLogP3.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.10
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 65098522
N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 107592693
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103586974
4-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 107799032
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79729505
N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103144766
5-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 82694218
N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 113231021
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107868964
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 114259506) is N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2cc(I)ccc2Br)[nH]1.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is QJKSWGCEWMEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrIN3O2S/c1-2-10-14-6-11(15-10)19(17,18)16-9-5-7(13)3-4-8(9)12/h3-6,16H,2H2,1H3,(H,14,15).
What are the key properties of N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 456.10 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114259506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).