5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide

C7H12ClN3O2S2 — CID 60745343

IUPAC5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide
SMILESCSCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C7H12ClN3O2S2/c1-11-5-9-7(6(11)8)15(12,13)10-3-4-14-2/h5,10H,3-4H2,1-2H3
InChIKeyVHASKRKTCZVNGS-UHFFFAOYSA-N
MW269.78 g/mol
LogP0.71
Rot. Bonds5

About 5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide (PubChem CID 60745343) has the molecular formula C7H12ClN3O2S2 and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide
PubChem CID60745343
Molecular FormulaC7H12ClN3O2S2
Molecular Weight269.78 g/mol
Exact Mass269.01
IUPAC Name5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide
SMILESCSCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C7H12ClN3O2S2/c1-11-5-9-7(6(11)8)15(12,13)10-3-4-14-2/h5,10H,3-4H2,1-2H3
InChIKeyVHASKRKTCZVNGS-UHFFFAOYSA-N
XLogP0.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 50.71
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-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide (CID 60745343) is 5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide is CSCCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide?
The InChIKey is VHASKRKTCZVNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S2/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-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide has a molecular weight of 269.78 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2-methylsulfanylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 60745343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).