4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide

C13H22N2O3S — CID 55060020

IUPAC4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)CCCCN)cc1
InChIInChI=1S/C13H22N2O3S/c1-2-10-18-13-7-5-12(6-8-13)15-19(16,17)11-4-3-9-14/h5-8,15H,2-4,9-11,14H2,1H3
InChIKeyVTUGHKATCPEMEL-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.96
Rot. Bonds9

About 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide

4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide (PubChem CID 55060020) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide
PubChem CID55060020
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)CCCCN)cc1
InChIInChI=1S/C13H22N2O3S/c1-2-10-18-13-7-5-12(6-8-13)15-19(16,17)11-4-3-9-14/h5-8,15H,2-4,9-11,14H2,1H3
InChIKeyVTUGHKATCPEMEL-UHFFFAOYSA-N
XLogP1.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
2-hydroxy-N-(4-propoxyphenyl)ethanesulfonamide
CID 79578942
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
CID 54952609
1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
CID 110776970
2-(4-propoxyanilino)ethanesulfonamide
CID 114384994
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
CID 43369627
4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
CID 55017062
methyl 2-[4-(propylsulfonylamino)phenoxy]acetate
CID 61062745
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide (CID 55060020) is 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide is CCCOc1ccc(NS(=O)(=O)CCCCN)cc1.
What is the InChIKey of 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide?
The InChIKey is VTUGHKATCPEMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-10-18-13-7-5-12(6-8-13)15-19(16,17)11-4-3-9-14/h5-8,15H,2-4,9-11,14H2,1H3.
What are the key properties of 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide?
4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide is sourced from PubChem (CID 55060020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).