5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide

C13H18N2O3S — CID 106231931

IUPAC5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cc(N)ccc1OCC
InChIInChI=1S/C13H18N2O3S/c1-4-11(5-2)15-19(16,17)13-9-10(14)7-8-12(13)18-6-3/h1,7-9,11,15H,5-6,14H2,2-3H3
InChIKeyRMUZZWQGVMDCFF-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.36
Rot. Bonds6

About 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide

5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide (PubChem CID 106231931) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
PubChem CID106231931
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cc(N)ccc1OCC
InChIInChI=1S/C13H18N2O3S/c1-4-11(5-2)15-19(16,17)13-9-10(14)7-8-12(13)18-6-3/h1,7-9,11,15H,5-6,14H2,2-3H3
InChIKeyRMUZZWQGVMDCFF-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
5-amino-3-chloro-2-fluoro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 114160396
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
3-amino-4-methoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 114160385
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
2-methyl-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106898671
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide (CID 106231931) is 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide is C#CC(CC)NS(=O)(=O)c1cc(N)ccc1OCC.
What is the InChIKey of 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide?
The InChIKey is RMUZZWQGVMDCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-11(5-2)15-19(16,17)13-9-10(14)7-8-12(13)18-6-3/h1,7-9,11,15H,5-6,14H2,2-3H3.
What are the key properties of 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide?
5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide is sourced from PubChem (CID 106231931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).