N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide

C12H16N4O4S2 — CID 126831250

IUPACN-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2ccnc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C12H16N4O4S2/c1-9(2)16-7-12(14-8-16)22(19,20)15-10-4-5-13-11(6-10)21(3,17)18/h4-9H,1-3H3,(H,13,15)
InChIKeyQFACBLZHEVQECR-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.06
Rot. Bonds5

About N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide

N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 126831250) has the molecular formula C12H16N4O4S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID126831250
Molecular FormulaC12H16N4O4S2
Molecular Weight344.42 g/mol
Exact Mass344.06
IUPAC NameN-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2ccnc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C12H16N4O4S2/c1-9(2)16-7-12(14-8-16)22(19,20)15-10-4-5-13-11(6-10)21(3,17)18/h4-9H,1-3H3,(H,13,15)
InChIKeyQFACBLZHEVQECR-UHFFFAOYSA-N
XLogP1.06
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
CID 126823702
1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122300186
N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 166182008
1-propan-2-yl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazole-4-sulfonamide
CID 86803082
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122325891
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122306446
N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 97326472
2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid
CID 91646205
N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 126787756
N-ethyl-2-methylsulfonylpyridin-4-amine;hydrochloride
CID 67303345
1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 75393095
N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide
CID 109379590

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide (CID 126831250) is N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)Nc2ccnc(S(C)(=O)=O)c2)c1.
What is the InChIKey of N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is QFACBLZHEVQECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S2/c1-9(2)16-7-12(14-8-16)22(19,20)15-10-4-5-13-11(6-10)21(3,17)18/h4-9H,1-3H3,(H,13,15).
What are the key properties of N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 344.42 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 126831250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).