N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide

C14H27N3O3S — CID 135224229

IUPACN-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCCCC(C)(C)CC(O)CNS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C14H27N3O3S/c1-5-6-7-14(3,4)8-12(18)9-16-21(19,20)13-10-15-11(2)17-13/h10,12,16,18H,5-9H2,1-4H3,(H,15,17)
InChIKeyIWAPDKBNVFJKEE-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.96
Rot. Bonds9

About N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide

N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 135224229) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID135224229
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCCCC(C)(C)CC(O)CNS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C14H27N3O3S/c1-5-6-7-14(3,4)8-12(18)9-16-21(19,20)13-10-15-11(2)17-13/h10,12,16,18H,5-9H2,1-4H3,(H,15,17)
InChIKeyIWAPDKBNVFJKEE-UHFFFAOYSA-N
XLogP1.96
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 135224229) is N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide is CCCCC(C)(C)CC(O)CNS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is IWAPDKBNVFJKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-5-6-7-14(3,4)8-12(18)9-16-21(19,20)13-10-15-11(2)17-13/h10,12,16,18H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethyloctyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 135224229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).