N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide

C12H15N3O3S — CID 62999128

IUPACN-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C12H15N3O3S/c1-9-13-7-12(14-9)19(16,17)15-11-6-4-3-5-10(11)8-18-2/h3-7,15H,8H2,1-2H3,(H,13,14)
InChIKeyPYSFXWWWGJHWNI-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.67
Rot. Bonds5

About N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 62999128) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID62999128
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C12H15N3O3S/c1-9-13-7-12(14-9)19(16,17)15-11-6-4-3-5-10(11)8-18-2/h3-7,15H,8H2,1-2H3,(H,13,14)
InChIKeyPYSFXWWWGJHWNI-UHFFFAOYSA-N
XLogP1.67
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate
CID 63000517
N-[2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 63903278
N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62151716
2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62999318
N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 63000019
N-(1H-indazol-7-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62999477
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249722
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
N-(5-chloro-2-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997807

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 62999128) is N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide is COCc1ccccc1NS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is PYSFXWWWGJHWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-13-7-12(14-9)19(16,17)15-11-6-4-3-5-10(11)8-18-2/h3-7,15H,8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62999128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).