5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide

C13H18N4O2S — CID 61326120

IUPAC5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C13H18N4O2S/c1-2-11-3-4-12(14)9-13(11)20(18,19)16-6-8-17-7-5-15-10-17/h3-5,7,9-10,16H,2,6,8,14H2,1H3
InChIKeyZVLXDWPINMSGFT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.01
Rot. Bonds6

About 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide

5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide (PubChem CID 61326120) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
PubChem CID61326120
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C13H18N4O2S/c1-2-11-3-4-12(14)9-13(11)20(18,19)16-6-8-17-7-5-15-10-17/h3-5,7,9-10,16H,2,6,8,14H2,1H3
InChIKeyZVLXDWPINMSGFT-UHFFFAOYSA-N
XLogP1.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.01
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

5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide
CID 61325918
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089
2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018063
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855
2-(aminomethyl)-5-fluoro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 106029754
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
3-amino-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 61325505
3-(2-imidazol-1-ylethylsulfamoyl)-4-methylbenzoic acid
CID 60681289
3-(aminomethyl)-4-chloro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018159

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide (CID 61326120) is 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The InChIKey is ZVLXDWPINMSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-11-3-4-12(14)9-13(11)20(18,19)16-6-8-17-7-5-15-10-17/h3-5,7,9-10,16H,2,6,8,14H2,1H3.
What are the key properties of 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61326120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).