N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide

C12H16N4O3S — CID 62375102

IUPACN-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(OCCN)cc2)c1
InChIInChI=1S/C12H16N4O3S/c1-16-8-12(14-9-16)20(17,18)15-10-2-4-11(5-3-10)19-7-6-13/h2-5,8-9,15H,6-7,13H2,1H3
InChIKeyZAYMUUZUDYRAGY-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.56
Rot. Bonds6

About N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide

N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 62375102) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID62375102
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(OCCN)cc2)c1
InChIInChI=1S/C12H16N4O3S/c1-16-8-12(14-9-16)20(17,18)15-10-2-4-11(5-3-10)19-7-6-13/h2-5,8-9,15H,6-7,13H2,1H3
InChIKeyZAYMUUZUDYRAGY-UHFFFAOYSA-N
XLogP0.56
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1-methylimidazole-4-sulfonamide
CID 104781031
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 153363584
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 28754838
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide
CID 122307191

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide (CID 62375102) is N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(OCCN)cc2)c1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is ZAYMUUZUDYRAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-16-8-12(14-9-16)20(17,18)15-10-2-4-11(5-3-10)19-7-6-13/h2-5,8-9,15H,6-7,13H2,1H3.
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide?
N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62375102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).