2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide

C11H16N2O3S — CID 115071321

IUPAC2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCN1)Nc1ccc(O)cc1
InChIInChI=1S/C11H16N2O3S/c14-11-3-1-10(2-4-11)13-17(15,16)8-6-9-5-7-12-9/h1-4,9,12-14H,5-8H2
InChIKeyGGQRMKWAUBVFRA-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.89
Rot. Bonds5

About 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide

2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide (PubChem CID 115071321) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
PubChem CID115071321
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCN1)Nc1ccc(O)cc1
InChIInChI=1S/C11H16N2O3S/c14-11-3-1-10(2-4-11)13-17(15,16)8-6-9-5-7-12-9/h1-4,9,12-14H,5-8H2
InChIKeyGGQRMKWAUBVFRA-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide 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-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide
CID 115071361
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
CID 115071249
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
CID 112746969
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
2-(azetidin-2-yl)-N-ethylethanesulfonamide
CID 115071323
N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide
CID 88749478
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide
CID 115071344

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide?
The IUPAC name of 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide (CID 115071321) is 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide is O=S(=O)(CCC1CCN1)Nc1ccc(O)cc1.
What is the InChIKey of 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide?
The InChIKey is GGQRMKWAUBVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-11-3-1-10(2-4-11)13-17(15,16)8-6-9-5-7-12-9/h1-4,9,12-14H,5-8H2.
What are the key properties of 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide?
2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide is sourced from PubChem (CID 115071321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).