5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide

C11H18ClN3O2S — CID 35292148

IUPAC5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCCCC2)c1Cl
InChIInChI=1S/C11H18ClN3O2S/c1-15-8-13-11(10(15)12)18(16,17)14-7-9-5-3-2-4-6-9/h8-9,14H,2-7H2,1H3
InChIKeyAYHRCQXWPRSWEP-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.93
Rot. Bonds4

About 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide (PubChem CID 35292148) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide
PubChem CID35292148
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCCCC2)c1Cl
InChIInChI=1S/C11H18ClN3O2S/c1-15-8-13-11(10(15)12)18(16,17)14-7-9-5-3-2-4-6-9/h8-9,14H,2-7H2,1H3
InChIKeyAYHRCQXWPRSWEP-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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-ethyl-1-methylimidazole-4-sulfonamide
CID 21693900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide (CID 35292148) is 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is AYHRCQXWPRSWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-15-8-13-11(10(15)12)18(16,17)14-7-9-5-3-2-4-6-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 35292148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).