N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide

C12H15N3O3S — CID 46351373

IUPACN-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cn(C)c(C)n2)c1
InChIInChI=1S/C12H15N3O3S/c1-9-13-12(8-15(9)2)19(16,17)14-10-5-4-6-11(7-10)18-3/h4-8,14H,1-3H3
InChIKeyPGHBEKDXCKBEAT-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.54
Rot. Bonds4

About N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 46351373) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID46351373
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cn(C)c(C)n2)c1
InChIInChI=1S/C12H15N3O3S/c1-9-13-12(8-15(9)2)19(16,17)14-10-5-4-6-11(7-10)18-3/h4-8,14H,1-3H3
InChIKeyPGHBEKDXCKBEAT-UHFFFAOYSA-N
XLogP1.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-imidazole-4-sulfonamide
CID 2811636
N-(4-methoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 2821590
1-(1H-imidazol-4-ylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 16195464
N-(3,4-dimethoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 20958579
N-(3-chloro-4-methoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 20958619

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 46351373) is N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is COc1cccc(NS(=O)(=O)c2cn(C)c(C)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is PGHBEKDXCKBEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-13-12(8-15(9)2)19(16,17)14-10-5-4-6-11(7-10)18-3/h4-8,14H,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 46351373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).