5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide

C12H20ClN3O2S — CID 46406865

IUPAC5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCC2CCCCC2)c1Cl
InChIInChI=1S/C12H20ClN3O2S/c1-16-9-14-12(11(16)13)19(17,18)15-8-7-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3
InChIKeyLZTIGGABEMXKKL-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.32
Rot. Bonds5

About 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide (PubChem CID 46406865) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide
PubChem CID46406865
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCC2CCCCC2)c1Cl
InChIInChI=1S/C12H20ClN3O2S/c1-16-9-14-12(11(16)13)19(17,18)15-8-7-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3
InChIKeyLZTIGGABEMXKKL-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)propyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 53499985
N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 71897359
5-chloro-N-cyclopentyl-1-methyl-1H-imidazole-4-sulfonamide
CID 43415266
5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746019
5-chloro-1-methyl-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746020
5-chloro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746138
5-chloro-1-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide
CID 115486657
5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide
CID 35383535
5-chloro-1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]imidazole-4-sulfonamide
CID 45822421
5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide
CID 60746011
5-chloro-N-(cyclooctylmethyl)-1-methylimidazole-4-sulfonamide
CID 71889800
5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide
CID 35292148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide (CID 46406865) is 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCC2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is LZTIGGABEMXKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-16-9-14-12(11(16)13)19(17,18)15-8-7-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 46406865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).