N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide

C10H8BrClFN3O2S — CID 43555790

IUPACN-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(Br)ccc2F)c1Cl
InChIInChI=1S/C10H8BrClFN3O2S/c1-16-5-14-10(9(16)12)19(17,18)15-8-4-6(11)2-3-7(8)13/h2-5,15H,1H3
InChIKeyQEEWMYDMPRFRMO-UHFFFAOYSA-N
MW368.62 g/mol
LogP2.78
Rot. Bonds3

About N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide

N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 43555790) has the molecular formula C10H8BrClFN3O2S and a molecular weight of 368.62 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID43555790
Molecular FormulaC10H8BrClFN3O2S
Molecular Weight368.62 g/mol
Exact Mass366.92
IUPAC NameN-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(Br)ccc2F)c1Cl
InChIInChI=1S/C10H8BrClFN3O2S/c1-16-5-14-10(9(16)12)19(17,18)15-8-4-6(11)2-3-7(8)13/h2-5,15H,1H3
InChIKeyQEEWMYDMPRFRMO-UHFFFAOYSA-N
XLogP2.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide (CID 43555790) is N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cc(Br)ccc2F)c1Cl.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is QEEWMYDMPRFRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClFN3O2S/c1-16-5-14-10(9(16)12)19(17,18)15-8-4-6(11)2-3-7(8)13/h2-5,15H,1H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 368.62 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 43555790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).