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

C17H22N6O2S — CID 121176610

IUPAC1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)cn1C
InChIInChI=1S/C17H22N6O2S/c1-13(2)17-20-16(12-22(17)3)26(24,25)21-15(11-23-18-9-10-19-23)14-7-5-4-6-8-14/h4-10,12-13,15,21H,11H2,1-3H3
InChIKeySWFQZCFQELPGFY-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.85
Rot. Bonds7

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

1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 121176610) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID121176610
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)cn1C
InChIInChI=1S/C17H22N6O2S/c1-13(2)17-20-16(12-22(17)3)26(24,25)21-15(11-23-18-9-10-19-23)14-7-5-4-6-8-14/h4-10,12-13,15,21H,11H2,1-3H3
InChIKeySWFQZCFQELPGFY-UHFFFAOYSA-N
XLogP1.85
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide
CID 121176568
(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 122069499
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
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
1-methyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 100702823
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760277
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 100697642
4-methyl-4-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]pentanoic acid
CID 122068700

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 121176610) is 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)cn1C.
What is the InChIKey of 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is SWFQZCFQELPGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-13(2)17-20-16(12-22(17)3)26(24,25)21-15(11-23-18-9-10-19-23)14-7-5-4-6-8-14/h4-10,12-13,15,21H,11H2,1-3H3.
What are the key properties of 1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.85, 7 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]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 121176610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).