2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C14H19N3O2S — CID 110446025

IUPAC2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nccn2C)c(C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)16-9-13-15-5-6-17(13)4/h5-8,16H,9H2,1-4H3
InChIKeyYBUSLHGOZZURLT-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.82
Rot. Bonds4

About 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110446025) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID110446025
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nccn2C)c(C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)16-9-13-15-5-6-17(13)4/h5-8,16H,9H2,1-4H3
InChIKeyYBUSLHGOZZURLT-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 107328926
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
5-(aminomethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106062569
2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207763
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106062551
1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole
CID 70402886
2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 86978007
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2,4,6-trimethylbenzenesulfonamide
CID 53499135
2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293807
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 110446025) is 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2nccn2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is YBUSLHGOZZURLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)16-9-13-15-5-6-17(13)4/h5-8,16H,9H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110446025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).