5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide

C13H20N2O3S — CID 43662995

IUPAC5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-3-18-12-7-6-11(14)8-13(12)19(16,17)15-9(2)10-4-5-10/h6-10,15H,3-5,14H2,1-2H3
InChIKeyNADKKJPPBSLIHC-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.74
Rot. Bonds6

About 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide

5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide (PubChem CID 43662995) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
PubChem CID43662995
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-3-18-12-7-6-11(14)8-13(12)19(16,17)15-9(2)10-4-5-10/h6-10,15H,3-5,14H2,1-2H3
InChIKeyNADKKJPPBSLIHC-UHFFFAOYSA-N
XLogP1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.74
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-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106231931
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide
CID 64921051
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide (CID 43662995) is 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NC(C)C1CC1.
What is the InChIKey of 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide?
The InChIKey is NADKKJPPBSLIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-18-12-7-6-11(14)8-13(12)19(16,17)15-9(2)10-4-5-10/h6-10,15H,3-5,14H2,1-2H3.
What are the key properties of 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide?
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 43662995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).