N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide

C19H24N2O4S — CID 59826254

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-3-21(4-2)13-14-25-18-9-7-17(8-10-18)20-26(23,24)19-11-5-16(15-22)6-12-19/h5-12,15,20H,3-4,13-14H2,1-2H3
InChIKeyULLHNKWRDRDPOZ-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.02
Rot. Bonds10

About N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide

N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide (PubChem CID 59826254) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide
PubChem CID59826254
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-3-21(4-2)13-14-25-18-9-7-17(8-10-18)20-26(23,24)19-11-5-16(15-22)6-12-19/h5-12,15,20H,3-4,13-14H2,1-2H3
InChIKeyULLHNKWRDRDPOZ-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide
CID 59826267
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide
CID 11617608
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826213
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide (CID 59826254) is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide is CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide?
The InChIKey is ULLHNKWRDRDPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-21(4-2)13-14-25-18-9-7-17(8-10-18)20-26(23,24)19-11-5-16(15-22)6-12-19/h5-12,15,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide?
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide is sourced from PubChem (CID 59826254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).