N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide

C12H15N3O4S — CID 20958580

IUPACN-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)cn2)c(OC)c1
InChIInChI=1S/C12H15N3O4S/c1-15-7-12(13-8-15)20(16,17)14-10-5-4-9(18-2)6-11(10)19-3/h4-8,14H,1-3H3
InChIKeyONAMBGAXZLDPEM-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.24
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide

N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 20958580) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID20958580
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)cn2)c(OC)c1
InChIInChI=1S/C12H15N3O4S/c1-15-7-12(13-8-15)20(16,17)14-10-5-4-9(18-2)6-11(10)19-3/h4-8,14H,1-3H3
InChIKeyONAMBGAXZLDPEM-UHFFFAOYSA-N
XLogP1.24
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide (CID 20958580) is N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cn(C)cn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is ONAMBGAXZLDPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-15-7-12(13-8-15)20(16,17)14-10-5-4-9(18-2)6-11(10)19-3/h4-8,14H,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).