N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide

C11H13BrN4O2S — CID 71865337

IUPACN-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)c2ccc(Br)cn2)c1
InChIInChI=1S/C11H13BrN4O2S/c1-3-16-7-11(14-8-16)19(17,18)15(2)10-5-4-9(12)6-13-10/h4-8H,3H2,1-2H3
InChIKeyFKHTUPPVKURCIP-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.89
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide

N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide (PubChem CID 71865337) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide
PubChem CID71865337
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC NameN-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)c2ccc(Br)cn2)c1
InChIInChI=1S/C11H13BrN4O2S/c1-3-16-7-11(14-8-16)19(17,18)15(2)10-5-4-9(12)6-13-10/h4-8H,3H2,1-2H3
InChIKeyFKHTUPPVKURCIP-UHFFFAOYSA-N
XLogP1.89
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide (CID 71865337) is N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(C)c2ccc(Br)cn2)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide?
The InChIKey is FKHTUPPVKURCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-3-16-7-11(14-8-16)19(17,18)15(2)10-5-4-9(12)6-13-10/h4-8H,3H2,1-2H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide?
N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-ethyl-N-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71865337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).