N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide

C11H18ClN3O2S — CID 106367783

IUPACN-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCCC2CCl)c1
InChIInChI=1S/C11H18ClN3O2S/c1-15-7-11(13-8-15)18(16,17)14-10-5-3-2-4-9(10)6-12/h7-10,14H,2-6H2,1H3
InChIKeyWGOQWGQKFINOST-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide

N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide (PubChem CID 106367783) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide
PubChem CID106367783
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCCC2CCl)c1
InChIInChI=1S/C11H18ClN3O2S/c1-15-7-11(13-8-15)18(16,17)14-10-5-3-2-4-9(10)6-12/h7-10,14H,2-6H2,1H3
InChIKeyWGOQWGQKFINOST-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromocycloheptyl)-1-methylimidazole-4-sulfonamide
CID 113395175
N-(4-chloro-1,1-dioxothiolan-3-yl)-1-methylimidazole-4-sulfonamide
CID 113290314
1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide
CID 62375787
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide
CID 126795291
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-1-methylimidazole-4-sulfonamide
CID 110125730
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide
CID 62374628
N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
CID 115881173
N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66238891
N-(1-chloro-2-methylpropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 65033444

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide (CID 106367783) is N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCCCC2CCl)c1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is WGOQWGQKFINOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-15-7-11(13-8-15)18(16,17)14-10-5-3-2-4-9(10)6-12/h7-10,14H,2-6H2,1H3.
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide?
N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 106367783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).