N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide

C10H11BrN4O2S — CID 102671829

IUPACN-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cc(Br)ccn2)cn1C
InChIInChI=1S/C10H11BrN4O2S/c1-7-13-10(6-15(7)2)18(16,17)14-9-5-8(11)3-4-12-9/h3-6H,1-2H3,(H,12,14)
InChIKeyIOJXRVWXRUUAOF-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.69
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide

N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 102671829) has the molecular formula C10H11BrN4O2S and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID102671829
Molecular FormulaC10H11BrN4O2S
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC NameN-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cc(Br)ccn2)cn1C
InChIInChI=1S/C10H11BrN4O2S/c1-7-13-10(6-15(7)2)18(16,17)14-9-5-8(11)3-4-12-9/h3-6H,1-2H3,(H,12,14)
InChIKeyIOJXRVWXRUUAOF-UHFFFAOYSA-N
XLogP1.69
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide (CID 102671829) is N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2cc(Br)ccn2)cn1C.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is IOJXRVWXRUUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S/c1-7-13-10(6-15(7)2)18(16,17)14-9-5-8(11)3-4-12-9/h3-6H,1-2H3,(H,12,14).
What are the key properties of N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 331.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 102671829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).