5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C13H22N2O4S — CID 104762819

IUPAC5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C13H22N2O4S/c1-4-18-12-6-5-11(14)9-13(12)20(16,17)15-7-8-19-10(2)3/h5-6,9-10,15H,4,7-8,14H2,1-3H3
InChIKeyBUJWEBRTFQJXIG-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.37
Rot. Bonds8

About 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide

5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 104762819) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID104762819
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C13H22N2O4S/c1-4-18-12-6-5-11(14)9-13(12)20(16,17)15-7-8-19-10(2)3/h5-6,9-10,15H,4,7-8,14H2,1-3H3
InChIKeyBUJWEBRTFQJXIG-UHFFFAOYSA-N
XLogP1.37
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231475
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 104762819) is 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NCCOC(C)C.
What is the InChIKey of 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is BUJWEBRTFQJXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-18-12-6-5-11(14)9-13(12)20(16,17)15-7-8-19-10(2)3/h5-6,9-10,15H,4,7-8,14H2,1-3H3.
What are the key properties of 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 104762819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).