4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide

C17H22N2O4S — CID 119964872

IUPAC4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H22N2O4S/c1-18-12-3-13-19-24(20,21)17-10-8-16(9-11-17)23-15-6-4-14(22-2)5-7-15/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyVUNUDOOTJVAHCQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.38
Rot. Bonds9

About 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide

4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 119964872) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID119964872
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H22N2O4S/c1-18-12-3-13-19-24(20,21)17-10-8-16(9-11-17)23-15-6-4-14(22-2)5-7-15/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyVUNUDOOTJVAHCQ-UHFFFAOYSA-N
XLogP2.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[2-(2-methoxyethylamino)ethyl]-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 120717957
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide (CID 119964872) is 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is VUNUDOOTJVAHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-18-12-3-13-19-24(20,21)17-10-8-16(9-11-17)23-15-6-4-14(22-2)5-7-15/h4-11,18-19H,3,12-13H2,1-2H3.
What are the key properties of 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide?
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 119964872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).