4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide

C13H18N4O2S — CID 82901454

IUPAC4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(-n2cnc(C)c2C)c1
InChIInChI=1S/C13H18N4O2S/c1-4-16-20(18,19)11-5-6-12(14)13(7-11)17-8-15-9(2)10(17)3/h5-8,16H,4,14H2,1-3H3
InChIKeyAYMSAMZHQULJOO-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide

4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide (PubChem CID 82901454) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide
PubChem CID82901454
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(-n2cnc(C)c2C)c1
InChIInChI=1S/C13H18N4O2S/c1-4-16-20(18,19)11-5-6-12(14)13(7-11)17-8-15-9(2)10(17)3/h5-8,16H,4,14H2,1-3H3
InChIKeyAYMSAMZHQULJOO-UHFFFAOYSA-N
XLogP1.37
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(2-cyanopyrrol-1-yl)-N-ethylbenzenesulfonamide
CID 114649918
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-(5-oxo-1,4-diazepan-1-yl)benzenesulfonamide
CID 82902271
4-amino-N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylbenzenesulfonamide
CID 82902678
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
CID 82900349
4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 82901044
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-N-ethyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenesulfonamide
CID 82902671
6-amino-N-ethyl-5-methylpyridine-3-sulfonamide
CID 82471323

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide (CID 82901454) is 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(-n2cnc(C)c2C)c1.
What is the InChIKey of 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide?
The InChIKey is AYMSAMZHQULJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-16-20(18,19)11-5-6-12(14)13(7-11)17-8-15-9(2)10(17)3/h5-8,16H,4,14H2,1-3H3.
What are the key properties of 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide?
4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 82901454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).