1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide

C14H16N6O2S — CID 121176568

IUPAC1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c1
InChIInChI=1S/C14H16N6O2S/c1-19-10-14(15-11-19)23(21,22)18-13(9-20-16-7-8-17-20)12-5-3-2-4-6-12/h2-8,10-11,13,18H,9H2,1H3
InChIKeyALHHSWPRRATKOD-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.73
Rot. Bonds6

About 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide

1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 121176568) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide
PubChem CID121176568
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c1
InChIInChI=1S/C14H16N6O2S/c1-19-10-14(15-11-19)23(21,22)18-13(9-20-16-7-8-17-20)12-5-3-2-4-6-12/h2-8,10-11,13,18H,9H2,1H3
InChIKeyALHHSWPRRATKOD-UHFFFAOYSA-N
XLogP0.73
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-1-phenylethyl)-1-methylimidazole-4-sulfonamide
CID 62374094
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 121176610
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176514
3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121018967
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
N-(3-amino-3-phenylpropyl)-1-methylimidazole-4-sulfonamide
CID 80506785
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
(2S)-2-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 78989396
2-[(1-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 62374949

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide (CID 121176568) is 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c1.
What is the InChIKey of 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is ALHHSWPRRATKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-19-10-14(15-11-19)23(21,22)18-13(9-20-16-7-8-17-20)12-5-3-2-4-6-12/h2-8,10-11,13,18H,9H2,1H3.
What are the key properties of 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide?
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 121176568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).