5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide

C10H9BrClFN4O2S — CID 107608901

IUPAC5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H9BrClFN4O2S/c1-17-4-15-9(14)10(17)20(18,19)16-8-6(11)2-5(13)3-7(8)12/h2-4,16H,14H2,1H3
InChIKeyWKBFNYVYUFVLCN-UHFFFAOYSA-N
MW383.63 g/mol
LogP2.36
Rot. Bonds3

About 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide (PubChem CID 107608901) has the molecular formula C10H9BrClFN4O2S and a molecular weight of 383.63 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide
PubChem CID107608901
Molecular FormulaC10H9BrClFN4O2S
Molecular Weight383.63 g/mol
Exact Mass381.93
IUPAC Name5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H9BrClFN4O2S/c1-17-4-15-9(14)10(17)20(18,19)16-8-6(11)2-5(13)3-7(8)12/h2-4,16H,14H2,1H3
InChIKeyWKBFNYVYUFVLCN-UHFFFAOYSA-N
XLogP2.36
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106314697
5-amino-N-(5-chloro-2-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 63979821
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide
CID 107605475
5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 107624377
5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide
CID 82857389
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide
CID 107624736
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride
CID 54601102
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide (CID 107608901) is 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is WKBFNYVYUFVLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFN4O2S/c1-17-4-15-9(14)10(17)20(18,19)16-8-6(11)2-5(13)3-7(8)12/h2-4,16H,14H2,1H3.
What are the key properties of 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 383.63 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107608901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).