3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide

C14H19N3O2S — CID 110666567

IUPAC3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ncc(CCNS(=O)(=O)c2ccc(C)c(C)c2)[nH]1
InChIInChI=1S/C14H19N3O2S/c1-10-4-5-14(8-11(10)2)20(18,19)16-7-6-13-9-15-12(3)17-13/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyVTPXPIAVVUAPDS-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.86
Rot. Bonds5

About 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide

3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110666567) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110666567
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ncc(CCNS(=O)(=O)c2ccc(C)c(C)c2)[nH]1
InChIInChI=1S/C14H19N3O2S/c1-10-4-5-14(8-11(10)2)20(18,19)16-7-6-13-9-15-12(3)17-13/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyVTPXPIAVVUAPDS-UHFFFAOYSA-N
XLogP1.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666564
2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666569
3-acetyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666629
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
3,4-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110718642
N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide
CID 62743098
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
CID 81357871
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110791001
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326222

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 110666567) is 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide is Cc1ncc(CCNS(=O)(=O)c2ccc(C)c(C)c2)[nH]1.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is VTPXPIAVVUAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-4-5-14(8-11(10)2)20(18,19)16-7-6-13-9-15-12(3)17-13/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110666567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).