4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide

C13H20N2O3S — CID 111423438

IUPAC4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
SMILESC=CCN(CCO)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-8-15(10-11-16)9-7-12-3-5-13(6-4-12)19(14,17)18/h2-6,16H,1,7-11H2,(H2,14,17,18)
InChIKeyYJQCHSGQIWBOCJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.36
Rot. Bonds8

About 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide

4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide (PubChem CID 111423438) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
PubChem CID111423438
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
SMILESC=CCN(CCO)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-8-15(10-11-16)9-7-12-3-5-13(6-4-12)19(14,17)18/h2-6,16H,1,7-11H2,(H2,14,17,18)
InChIKeyYJQCHSGQIWBOCJ-UHFFFAOYSA-N
XLogP0.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]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

2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
2-[2-(benzenesulfonyl)ethyl-prop-2-enylamino]ethanol
CID 111423426
2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol
CID 115631710
2-[2-(3-bromophenyl)sulfonylethyl-prop-2-enylamino]ethanol
CID 111858371
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 111423094
3-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]propanoic acid
CID 82327972
N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113103670
4-(4-sulfamoylphenyl)butanamide
CID 145476026
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
CID 78977811
5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109101769
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109339662
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
CID 113165281

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide (CID 111423438) is 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide is C=CCN(CCO)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide?
The InChIKey is YJQCHSGQIWBOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-8-15(10-11-16)9-7-12-3-5-13(6-4-12)19(14,17)18/h2-6,16H,1,7-11H2,(H2,14,17,18).
What are the key properties of 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide?
4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 111423438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).