2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide

C13H17N3O2S — CID 62999451

IUPAC2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cnc(C)[nH]2)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-8-5-9(2)13(10(3)6-8)16-19(17,18)12-7-14-11(4)15-12/h5-7,16H,1-4H3,(H,14,15)
InChIKeyZVDHVSGZWBSGHC-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide

2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide (PubChem CID 62999451) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide
PubChem CID62999451
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cnc(C)[nH]2)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-8-5-9(2)13(10(3)6-8)16-19(17,18)12-7-14-11(4)15-12/h5-7,16H,1-4H3,(H,14,15)
InChIKeyZVDHVSGZWBSGHC-UHFFFAOYSA-N
XLogP2.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 63000406
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 81422363
N-(3-hydroxy-4-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64794398
N-(5-chloro-2-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997807
N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62998902
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
CID 114388868
methyl 4-methyl-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]thiophene-2-carboxylate
CID 114916099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide (CID 62999451) is 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2cnc(C)[nH]2)c(C)c1.
What is the InChIKey of 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide?
The InChIKey is ZVDHVSGZWBSGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-5-9(2)13(10(3)6-8)16-19(17,18)12-7-14-11(4)15-12/h5-7,16H,1-4H3,(H,14,15).
What are the key properties of 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62999451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).