5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide

C11H20ClN3O4S — CID 61041408

IUPAC5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H20ClN3O4S/c1-14-9-13-11(10(14)12)20(16,17)15(6-8-19-3)5-4-7-18-2/h9H,4-8H2,1-3H3
InChIKeyPXWUVXFKTLLTHY-UHFFFAOYSA-N
MW325.82 g/mol
LogP0.75
Rot. Bonds9

About 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 61041408) has the molecular formula C11H20ClN3O4S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID61041408
Molecular FormulaC11H20ClN3O4S
Molecular Weight325.82 g/mol
Exact Mass325.09
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H20ClN3O4S/c1-14-9-13-11(10(14)12)20(16,17)15(6-8-19-3)5-4-7-18-2/h9H,4-8H2,1-3H3
InChIKeyPXWUVXFKTLLTHY-UHFFFAOYSA-N
XLogP0.75
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957497
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046480
ethyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetate
CID 54978459
5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
CID 43456033
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
CID 61053391
5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 51892253
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159352
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 55171323
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 93470193
5-chloro-N-[(2S)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 93470194
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
CID 60745358
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 114613324

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide (CID 61041408) is 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide is COCCCN(CCOC)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is PXWUVXFKTLLTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O4S/c1-14-9-13-11(10(14)12)20(16,17)15(6-8-19-3)5-4-7-18-2/h9H,4-8H2,1-3H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 0.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 61041408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).