N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide

C15H26N2O3S — CID 43507419

IUPACN-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-17(5-2)12-6-11-16-21(19,20)15-9-7-14(8-10-15)13(3)18/h7-10,13,16,18H,4-6,11-12H2,1-3H3
InChIKeyFWOZMBFETJBGKK-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.75
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide

N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 43507419) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID43507419
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-17(5-2)12-6-11-16-21(19,20)15-9-7-14(8-10-15)13(3)18/h7-10,13,16,18H,4-6,11-12H2,1-3H3
InChIKeyFWOZMBFETJBGKK-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 106341929
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide
CID 154196449
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908
3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
CID 43507340
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide (CID 43507419) is N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide is CCN(CC)CCCNS(=O)(=O)c1ccc(C(C)O)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is FWOZMBFETJBGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-17(5-2)12-6-11-16-21(19,20)15-9-7-14(8-10-15)13(3)18/h7-10,13,16,18H,4-6,11-12H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide?
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43507419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).