1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide

C12H15N3O2S — CID 53008183

IUPAC1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)cc1
InChIInChI=1S/C12H15N3O2S/c1-9-4-6-11(7-5-9)14-18(16,17)12-8-15(3)10(2)13-12/h4-8,14H,1-3H3
InChIKeyWTLILTGRSGUIFF-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.84
Rot. Bonds3

About 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide

1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide (PubChem CID 53008183) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
PubChem CID53008183
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)cc1
InChIInChI=1S/C12H15N3O2S/c1-9-4-6-11(7-5-9)14-18(16,17)12-8-15(3)10(2)13-12/h4-8,14H,1-3H3
InChIKeyWTLILTGRSGUIFF-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 47092092
N-[4-(2-chloroethyl)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 65031315
1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286498
S-[2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11559682
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
N-(5-iodo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 65098713
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122287168
1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide
CID 122316115
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 62063149
N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 53008171
N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 102671829
N-(4-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066063

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide (CID 53008183) is 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)cc1.
What is the InChIKey of 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide?
The InChIKey is WTLILTGRSGUIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-4-6-11(7-5-9)14-18(16,17)12-8-15(3)10(2)13-12/h4-8,14H,1-3H3.
What are the key properties of 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide?
1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 53008183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).