2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide

C14H19N3O3S — CID 114528545

IUPAC2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1OCCc1nccn1C
InChIInChI=1S/C14H19N3O3S/c1-10-9-13(21(15,18)19)11(2)8-12(10)20-7-4-14-16-5-6-17(14)3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,18,19)
InChIKeyHZTWRWCCGZDBMO-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.31
Rot. Bonds5

About 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide

2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide (PubChem CID 114528545) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
PubChem CID114528545
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1OCCc1nccn1C
InChIInChI=1S/C14H19N3O3S/c1-10-9-13(21(15,18)19)11(2)8-12(10)20-7-4-14-16-5-6-17(14)3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,18,19)
InChIKeyHZTWRWCCGZDBMO-UHFFFAOYSA-N
XLogP1.31
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528547
2,5-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 82911452
2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527399
3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527396
5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527415
1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 114528382
5-bromo-3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527410
[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
methyl 3-amino-4-[2-(1-methylimidazol-2-yl)ethoxy]benzoate
CID 114528693
2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61215128
4-but-2-ynoxy-2,5-dimethylbenzenesulfonamide
CID 82912944

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide (CID 114528545) is 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide is Cc1cc(S(N)(=O)=O)c(C)cc1OCCc1nccn1C.
What is the InChIKey of 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide?
The InChIKey is HZTWRWCCGZDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-9-13(21(15,18)19)11(2)8-12(10)20-7-4-14-16-5-6-17(14)3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,18,19).
What are the key properties of 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide?
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 114528545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).