2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide

C13H17N3O2S — CID 79755225

IUPAC2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCc2ccccc2C)[nH]1
InChIInChI=1S/C13H17N3O2S/c1-10-5-3-4-6-12(10)7-8-15-19(17,18)13-9-14-11(2)16-13/h3-6,9,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyDTLYWMFEHLYILX-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.55
Rot. Bonds5

About 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide

2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 79755225) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID79755225
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCc2ccccc2C)[nH]1
InChIInChI=1S/C13H17N3O2S/c1-10-5-3-4-6-12(10)7-8-15-19(17,18)13-9-14-11(2)16-13/h3-6,9,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyDTLYWMFEHLYILX-UHFFFAOYSA-N
XLogP1.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 79763049
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 79755229
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567
3-amino-N-[2-(2-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 103306499
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103080924
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide (CID 79755225) is 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCc2ccccc2C)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is DTLYWMFEHLYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-5-3-4-6-12(10)7-8-15-19(17,18)13-9-14-11(2)16-13/h3-6,9,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79755225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).