N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide

C15H22N4O2S — CID 75388292

IUPACN-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide
SMILESCN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C15H22N4O2S/c1-15(2,18-22(20,21)14-9-16-12-17-14)11-19(3)10-13-7-5-4-6-8-13/h4-9,12,18H,10-11H2,1-3H3,(H,16,17)
InChIKeyLHFSWOBBHFKEDX-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.60
Rot. Bonds7

About N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide

N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide (PubChem CID 75388292) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide
PubChem CID75388292
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide
SMILESCN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C15H22N4O2S/c1-15(2,18-22(20,21)14-9-16-12-17-14)11-19(3)10-13-7-5-4-6-8-13/h4-9,12,18H,10-11H2,1-3H3,(H,16,17)
InChIKeyLHFSWOBBHFKEDX-UHFFFAOYSA-N
XLogP1.60
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide (CID 75388292) is N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide is CN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is LHFSWOBBHFKEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-15(2,18-22(20,21)14-9-16-12-17-14)11-19(3)10-13-7-5-4-6-8-13/h4-9,12,18H,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide?
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 75388292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).