1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide

C13H17N3O5S — CID 20958605

IUPAC1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cn(C)cn2)cc(OC)c1OC
InChIInChI=1S/C13H17N3O5S/c1-16-7-12(14-8-16)22(17,18)15-9-5-10(19-2)13(21-4)11(6-9)20-3/h5-8,15H,1-4H3
InChIKeyIVRQNOXUOJKSCN-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.25
Rot. Bonds6

About 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide

1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide (PubChem CID 20958605) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide
PubChem CID20958605
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cn(C)cn2)cc(OC)c1OC
InChIInChI=1S/C13H17N3O5S/c1-16-7-12(14-8-16)22(17,18)15-9-5-10(19-2)13(21-4)11(6-9)20-3/h5-8,15H,1-4H3
InChIKeyIVRQNOXUOJKSCN-UHFFFAOYSA-N
XLogP1.25
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide (CID 20958605) is 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide is COc1cc(NS(=O)(=O)c2cn(C)cn2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide?
The InChIKey is IVRQNOXUOJKSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-16-7-12(14-8-16)22(17,18)15-9-5-10(19-2)13(21-4)11(6-9)20-3/h5-8,15H,1-4H3.
What are the key properties of 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide?
1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide has a molecular weight of 327.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,4,5-trimethoxyphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 20958605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).