N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide

C12H15N3O4S — CID 20958579

IUPACN-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1OC
InChIInChI=1S/C12H15N3O4S/c1-15-7-12(13-8-15)20(16,17)14-9-4-5-10(18-2)11(6-9)19-3/h4-8,14H,1-3H3
InChIKeyNESJHKJKKXIWDN-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.24
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide

N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 20958579) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID20958579
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1OC
InChIInChI=1S/C12H15N3O4S/c1-15-7-12(13-8-15)20(16,17)14-9-4-5-10(18-2)11(6-9)19-3/h4-8,14H,1-3H3
InChIKeyNESJHKJKKXIWDN-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

Analyze N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-Dimethoxyphenyl)-3-[3-(1h-Imidazol-1-Yl)propyl]thiourea
CID 6539196
1-(3,4-dimethoxyphenyl)-3-[4-(1H-imidazol-1-yl)butyl]thiourea
CID 6539198
Thioamide deriv. 85
CID 6539216
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2810645
N-[4-(difluoromethoxy)phenyl]-1-methyl-1H-imidazole-4-sulfonamide
CID 2815194
1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide
CID 2821584
N-(2,4-dimethoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 20958580
N-(2-methoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 20958632
1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]-3-methylthiourea
CID 6539202
1-(2-(1H-imidazol-1-yl)ethyl)-3-(3,4-dimethoxyphenyl)thiourea
CID 6539197
N-(2-methoxyphenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 16029227
1-(3-methoxyphenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 20958595

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide (CID 20958579) is N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is NESJHKJKKXIWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-15-7-12(13-8-15)20(16,17)14-9-4-5-10(18-2)11(6-9)19-3/h4-8,14H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).