5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide

C14H20N4O2S — CID 63977546

IUPAC5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C14H20N4O2S/c1-9(2)11-7-5-6-10(3)12(11)17-21(19,20)14-13(15)16-8-18(14)4/h5-9,17H,15H2,1-4H3
InChIKeyZENQJGGJAXLXAE-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.23
Rot. Bonds4

About 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide

5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide (PubChem CID 63977546) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide
PubChem CID63977546
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C14H20N4O2S/c1-9(2)11-7-5-6-10(3)12(11)17-21(19,20)14-13(15)16-8-18(14)4/h5-9,17H,15H2,1-4H3
InChIKeyZENQJGGJAXLXAE-UHFFFAOYSA-N
XLogP2.23
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 107624377
1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 22775202
5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
CID 63978492
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
CID 63980035
5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide
CID 115375981
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide
CID 63977730
5-amino-3-methyl-N-pentan-3-ylimidazole-4-sulfonamide
CID 63977514
5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
CID 64929209
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene
CID 61456274
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide (CID 63977546) is 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide is Cc1cccc(C(C)C)c1NS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide?
The InChIKey is ZENQJGGJAXLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9(2)11-7-5-6-10(3)12(11)17-21(19,20)14-13(15)16-8-18(14)4/h5-9,17H,15H2,1-4H3.
What are the key properties of 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63977546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).