N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide

C18H24N2O3S — CID 78841739

IUPACN,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCCOc2ccccc2)cc1
InChIInChI=1S/C18H24N2O3S/c1-3-20(4-2)24(21,22)18-12-10-16(11-13-18)19-14-15-23-17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyALXDQNCYAMBRSI-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.21
Rot. Bonds9

About N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide

N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide (PubChem CID 78841739) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide
PubChem CID78841739
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCCOc2ccccc2)cc1
InChIInChI=1S/C18H24N2O3S/c1-3-20(4-2)24(21,22)18-12-10-16(11-13-18)19-14-15-23-17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyALXDQNCYAMBRSI-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
CID 63692201
N,N-diethyl-3-nitro-4-(2-phenoxyethoxy)benzenesulfonamide
CID 7642713
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 108802951
N-[4-(diethylsulfamoyl)phenyl]-2-phenoxybenzamide
CID 1214319
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide (CID 78841739) is N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCCOc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide?
The InChIKey is ALXDQNCYAMBRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-20(4-2)24(21,22)18-12-10-16(11-13-18)19-14-15-23-17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide?
N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide is sourced from PubChem (CID 78841739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).