5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide

C14H24N2O3S — CID 62118600

IUPAC5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(N)ccc1OCC
InChIInChI=1S/C14H24N2O3S/c1-4-7-12(5-2)16-20(17,18)14-10-11(15)8-9-13(14)19-6-3/h8-10,12,16H,4-7,15H2,1-3H3
InChIKeyAUOVZHNJWDXODC-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.52
Rot. Bonds8

About 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide

5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide (PubChem CID 62118600) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
PubChem CID62118600
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(N)ccc1OCC
InChIInChI=1S/C14H24N2O3S/c1-4-7-12(5-2)16-20(17,18)14-10-11(15)8-9-13(14)19-6-3/h8-10,12,16H,4-7,15H2,1-3H3
InChIKeyAUOVZHNJWDXODC-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106231931
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
4-amino-N-hexan-3-yl-2-nitrobenzenesulfonamide
CID 62145819
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
CID 65021029
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide (CID 62118600) is 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide is CCCC(CC)NS(=O)(=O)c1cc(N)ccc1OCC.
What is the InChIKey of 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide?
The InChIKey is AUOVZHNJWDXODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-7-12(5-2)16-20(17,18)14-10-11(15)8-9-13(14)19-6-3/h8-10,12,16H,4-7,15H2,1-3H3.
What are the key properties of 5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide?
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.52, 8 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-hexan-3-ylbenzenesulfonamide is sourced from PubChem (CID 62118600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).