1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide

C11H13N3O2S2 — CID 20958612

IUPAC1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C11H13N3O2S2/c1-14-7-11(12-8-14)18(15,16)13-9-4-3-5-10(6-9)17-2/h3-8,13H,1-2H3
InChIKeySQYCZNSWAUEYEH-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.94
Rot. Bonds4

About 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide

1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide (PubChem CID 20958612) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide
PubChem CID20958612
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C11H13N3O2S2/c1-14-7-11(12-8-14)18(15,16)13-9-4-3-5-10(6-9)17-2/h3-8,13H,1-2H3
InChIKeySQYCZNSWAUEYEH-UHFFFAOYSA-N
XLogP1.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide (CID 20958612) is 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide is CSc1cccc(NS(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide?
The InChIKey is SQYCZNSWAUEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-14-7-11(12-8-14)18(15,16)13-9-4-3-5-10(6-9)17-2/h3-8,13H,1-2H3.
What are the key properties of 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide?
1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfanylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 20958612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).