N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide

C11H14N2O4S — CID 63106764

IUPACN-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N1CC(O)C1
InChIInChI=1S/C11H14N2O4S/c14-9-7-13(8-9)11(15)6-12-18(16,17)10-4-2-1-3-5-10/h1-5,9,12,14H,6-8H2
InChIKeyPYGRNKORIHNDIQ-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.83
Rot. Bonds4

About N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide

N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 63106764) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID63106764
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N1CC(O)C1
InChIInChI=1S/C11H14N2O4S/c14-9-7-13(8-9)11(15)6-12-18(16,17)10-4-2-1-3-5-10/h1-5,9,12,14H,6-8H2
InChIKeyPYGRNKORIHNDIQ-UHFFFAOYSA-N
XLogP-0.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 110446224
4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895090
N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 71809313
3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205
N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90592982
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 112536344

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 63106764) is N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1)N1CC(O)C1.
What is the InChIKey of N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is PYGRNKORIHNDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-9-7-13(8-9)11(15)6-12-18(16,17)10-4-2-1-3-5-10/h1-5,9,12,14H,6-8H2.
What are the key properties of N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 270.31 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 63106764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).