2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide

C17H29N5O5S — CID 17388729

IUPAC2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1.OCCNCCO
InChIInChI=1S/C13H18N4O3S.C4H11NO2/c1-11(18)15-21(19,20)13-7-5-12(6-8-13)14-16-17-9-3-2-4-10-17;6-3-1-5-2-4-7/h5-8H,2-4,9-10H2,1H3,(H,15,18);5-7H,1-4H2/b16-14+;
InChIKeyKAIJHWGGMHYKPQ-BACBYAOASA-N
MW415.52 g/mol
LogP0.56
Rot. Bonds8

About 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide

2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide (PubChem CID 17388729) has the molecular formula C17H29N5O5S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
PubChem CID17388729
Molecular FormulaC17H29N5O5S
Molecular Weight415.52 g/mol
Exact Mass415.19
IUPAC Name2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1.OCCNCCO
InChIInChI=1S/C13H18N4O3S.C4H11NO2/c1-11(18)15-21(19,20)13-7-5-12(6-8-13)14-16-17-9-3-2-4-10-17;6-3-1-5-2-4-7/h5-8H,2-4,9-10H2,1H3,(H,15,18);5-7H,1-4H2/b16-14+;
InChIKeyKAIJHWGGMHYKPQ-BACBYAOASA-N
XLogP0.56
TPSA143.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide 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

(2S)-3-phenyl-2-[[4-(piperidin-1-yldiazenyl)phenyl]sulfonylamino]propanoic acid
CID 42531153
N-[4-[[4-[[4-(1-oxidoethylideneamino)sulfonylphenyl]diazenyl]piperazin-1-yl]diazenyl]phenyl]sulfonylethanimidate
CID 4123143
ethyl (E)-2-[[4-(acetylsulfamoyl)phenyl]diazenyl]-3-hydroxybut-2-enoate
CID 135628605
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate
CID 6514282
potassium [4-(azepan-1-yldiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 23665360
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
azepan-1-yl(phenyl)diazene
CID 15497245
potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid
CID 126467905
N-[4-(diethylsulfamoyl)phenyl]sulfonylacetamide
CID 154139337
N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide
CID 25047791
1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea;1-butyl-3-(4-methylphenyl)sulfonylurea
CID 66869930

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide (CID 17388729) is 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide?
The InChIKey is KAIJHWGGMHYKPQ-BACBYAOASA-N. The full InChI is InChI=1S/C13H18N4O3S.C4H11NO2/c1-11(18)15-21(19,20)13-7-5-12(6-8-13)14-16-17-9-3-2-4-10-17;6-3-1-5-2-4-7/h5-8H,2-4,9-10H2,1H3,(H,15,18);5-7H,1-4H2/b16-14+;.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide?
2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide has a molecular weight of 415.52 g/mol, XLogP of 0.56, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 17388729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).