N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide

C11H13BrN4O2S — CID 79729505

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(C)c(Br)cn2)[nH]1
InChIInChI=1S/C11H13BrN4O2S/c1-3-9-14-6-11(15-9)19(17,18)16-10-4-7(2)8(12)5-13-10/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyHTBDDBVQRDANTD-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.24
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 79729505) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID79729505
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(C)c(Br)cn2)[nH]1
InChIInChI=1S/C11H13BrN4O2S/c1-3-9-14-6-11(15-9)19(17,18)16-10-4-7(2)8(12)5-13-10/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyHTBDDBVQRDANTD-UHFFFAOYSA-N
XLogP2.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 79729505) is N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2cc(C)c(Br)cn2)[nH]1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is HTBDDBVQRDANTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-3-9-14-6-11(15-9)19(17,18)16-10-4-7(2)8(12)5-13-10/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79729505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).