N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide

C13H22N2O3S — CID 107318094

IUPACN-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCCCCO)cc1
InChIInChI=1S/C13H22N2O3S/c1-2-15-19(17,18)13-8-6-12(7-9-13)14-10-4-3-5-11-16/h6-9,14-16H,2-5,10-11H2,1H3
InChIKeyALSPGSGDTILRFR-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.56
Rot. Bonds9

About N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide

N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide (PubChem CID 107318094) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
PubChem CID107318094
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCCCCO)cc1
InChIInChI=1S/C13H22N2O3S/c1-2-15-19(17,18)13-8-6-12(7-9-13)14-10-4-3-5-11-16/h6-9,14-16H,2-5,10-11H2,1H3
InChIKeyALSPGSGDTILRFR-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(5-hydroxypentylamino)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-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
CID 106144652
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide (CID 107318094) is N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCCCCCO)cc1.
What is the InChIKey of N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide?
The InChIKey is ALSPGSGDTILRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-15-19(17,18)13-8-6-12(7-9-13)14-10-4-3-5-11-16/h6-9,14-16H,2-5,10-11H2,1H3.
What are the key properties of N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide?
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide is sourced from PubChem (CID 107318094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).