5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide

C11H18ClN3O2S — CID 43415288

IUPAC5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H18ClN3O2S/c1-8-5-3-4-6-9(8)14-18(16,17)11-10(12)15(2)7-13-11/h7-9,14H,3-6H2,1-2H3
InChIKeyAQJTXDQEVKIBIU-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.93
Rot. Bonds3

About 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide (PubChem CID 43415288) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide
PubChem CID43415288
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H18ClN3O2S/c1-8-5-3-4-6-9(8)14-18(16,17)11-10(12)15(2)7-13-11/h7-9,14H,3-6H2,1-2H3
InChIKeyAQJTXDQEVKIBIU-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-methyl-N-(2-methylcyclopentyl)imidazole-4-sulfonamide
CID 63281688
5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide
CID 124729783
5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide
CID 103864185
N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 62320919
5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
CID 51891623
5-chloro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746138
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
CID 92861335
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide
CID 46595951
5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide
CID 115650724
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 62732758
5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide
CID 43421879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide (CID 43415288) is 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide is CC1CCCCC1NS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide?
The InChIKey is AQJTXDQEVKIBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-8-5-3-4-6-9(8)14-18(16,17)11-10(12)15(2)7-13-11/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide is sourced from PubChem (CID 43415288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).