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

C7H12ClN3O3S — CID 43415313

IUPAC5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide
SMILESCOCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C7H12ClN3O3S/c1-11-5-9-7(6(11)8)15(12,13)10-3-4-14-2/h5,10H,3-4H2,1-2H3
InChIKeyDLHUFIWBBKFOLM-UHFFFAOYSA-N
MW253.71 g/mol
LogP-0.00
Rot. Bonds5

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

5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide (PubChem CID 43415313) has the molecular formula C7H12ClN3O3S and a molecular weight of 253.71 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide
PubChem CID43415313
Molecular FormulaC7H12ClN3O3S
Molecular Weight253.71 g/mol
Exact Mass253.03
IUPAC Name5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide
SMILESCOCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C7H12ClN3O3S/c1-11-5-9-7(6(11)8)15(12,13)10-3-4-14-2/h5,10H,3-4H2,1-2H3
InChIKeyDLHUFIWBBKFOLM-UHFFFAOYSA-N
XLogP-0.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide (CID 43415313) is 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide is COCCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is DLHUFIWBBKFOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O3S/c1-11-5-9-7(6(11)8)15(12,13)10-3-4-14-2/h5,10H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 253.71 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 43415313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).