4-(2-aminophenoxy)-N-propylbenzenesulfonamide

C15H18N2O3S — CID 61026793

IUPAC4-(2-aminophenoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Oc2ccccc2N)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-11-17-21(18,19)13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)16/h3-10,17H,2,11,16H2,1H3
InChIKeyZTXJSHWCSOXRCA-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.75
Rot. Bonds6

About 4-(2-aminophenoxy)-N-propylbenzenesulfonamide

4-(2-aminophenoxy)-N-propylbenzenesulfonamide (PubChem CID 61026793) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-propylbenzenesulfonamide
PubChem CID61026793
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-(2-aminophenoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Oc2ccccc2N)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-11-17-21(18,19)13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)16/h3-10,17H,2,11,16H2,1H3
InChIKeyZTXJSHWCSOXRCA-UHFFFAOYSA-N
XLogP2.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.75
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

2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride
CID 70475326
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685
CID 57257139
CID 57257139
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide
CID 91006341
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
2-methoxy-N-propylbenzenesulfonamide
CID 23128752

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(2-aminophenoxy)-N-propylbenzenesulfonamide (CID 61026793) is 4-(2-aminophenoxy)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(Oc2ccccc2N)cc1.
What is the InChIKey of 4-(2-aminophenoxy)-N-propylbenzenesulfonamide?
The InChIKey is ZTXJSHWCSOXRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-11-17-21(18,19)13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)16/h3-10,17H,2,11,16H2,1H3.
What are the key properties of 4-(2-aminophenoxy)-N-propylbenzenesulfonamide?
4-(2-aminophenoxy)-N-propylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-propylbenzenesulfonamide is sourced from PubChem (CID 61026793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).