1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide

C16H22N4O3S — CID 176500898

IUPAC1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide
SMILESCc1ncccc1OC1CCC(NS(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C16H22N4O3S/c1-12-15(4-3-9-17-12)23-14-7-5-13(6-8-14)19-24(21,22)16-10-20(2)11-18-16/h3-4,9-11,13-14,19H,5-8H2,1-2H3
InChIKeyJXGGWSBSMNWERW-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.79
Rot. Bonds5

About 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide

1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide (PubChem CID 176500898) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide
PubChem CID176500898
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide
SMILESCc1ncccc1OC1CCC(NS(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C16H22N4O3S/c1-12-15(4-3-9-17-12)23-14-7-5-13(6-8-14)19-24(21,22)16-10-20(2)11-18-16/h3-4,9-11,13-14,19H,5-8H2,1-2H3
InChIKeyJXGGWSBSMNWERW-UHFFFAOYSA-N
XLogP1.79
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 176502937
1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide
CID 62375787
1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
CID 91626349
N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
CID 115881173
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
CID 175641474
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-1-methylimidazole-4-sulfonamide
CID 110125730
1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide
CID 97397403
2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129329420
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide (CID 176500898) is 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide is Cc1ncccc1OC1CCC(NS(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide?
The InChIKey is JXGGWSBSMNWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12-15(4-3-9-17-12)23-14-7-5-13(6-8-14)19-24(21,22)16-10-20(2)11-18-16/h3-4,9-11,13-14,19H,5-8H2,1-2H3.
What are the key properties of 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide?
1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]imidazole-4-sulfonamide is sourced from PubChem (CID 176500898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).