5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

C13H18N4O3S — CID 65231475

IUPAC5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O3S/c1-2-20-12-4-3-10(14)7-13(12)21(18,19)17-6-5-11-8-15-9-16-11/h3-4,7-9,17H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyLXTMJYDSJKFQHU-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.91
Rot. Bonds7

About 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 65231475) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID65231475
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O3S/c1-2-20-12-4-3-10(14)7-13(12)21(18,19)17-6-5-11-8-15-9-16-11/h3-4,7-9,17H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyLXTMJYDSJKFQHU-UHFFFAOYSA-N
XLogP0.91
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231192
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
3-amino-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107325891
5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 146024582
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 65231475) is 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is LXTMJYDSJKFQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-20-12-4-3-10(14)7-13(12)21(18,19)17-6-5-11-8-15-9-16-11/h3-4,7-9,17H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 65231475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).