N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide

C14H24N2O3S — CID 104594124

IUPACN-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCNCC(C)O)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-4-13-5-7-14(8-6-13)20(18,19)16-10-9-15-11-12(2)17/h5-8,12,15-17H,3-4,9-11H2,1-2H3
InChIKeyCTLDGBJDJORNRP-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.89
Rot. Bonds9

About N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide

N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide (PubChem CID 104594124) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
PubChem CID104594124
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCNCC(C)O)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-4-13-5-7-14(8-6-13)20(18,19)16-10-9-15-11-12(2)17/h5-8,12,15-17H,3-4,9-11H2,1-2H3
InChIKeyCTLDGBJDJORNRP-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide 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

N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
N-[2-(2-hydroxypropylamino)ethyl]-4-nitrobenzenesulfonamide
CID 104594085
4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 84558138
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-4-methylbenzenesulfonamide
CID 104594019
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
CID 71787498
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
3-bromo-N-[2-(2-hydroxypropylamino)ethyl]benzenesulfonamide
CID 113430481
5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
CID 104593933
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide (CID 104594124) is N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCNCC(C)O)cc1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide?
The InChIKey is CTLDGBJDJORNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-4-13-5-7-14(8-6-13)20(18,19)16-10-9-15-11-12(2)17/h5-8,12,15-17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide?
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 104594124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).