N-(azetidin-3-yl)-2-phenylethenesulfonamide

C11H14N2O2S — CID 77114365

IUPACN-(azetidin-3-yl)-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)NC1CNC1
InChIInChI=1S/C11H14N2O2S/c14-16(15,13-11-8-12-9-11)7-6-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2
InChIKeyBTXAMRQUGYRKHF-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.55
Rot. Bonds4

About N-(azetidin-3-yl)-2-phenylethenesulfonamide

N-(azetidin-3-yl)-2-phenylethenesulfonamide (PubChem CID 77114365) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-phenylethenesulfonamide
PubChem CID77114365
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(azetidin-3-yl)-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)NC1CNC1
InChIInChI=1S/C11H14N2O2S/c14-16(15,13-11-8-12-9-11)7-6-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2
InChIKeyBTXAMRQUGYRKHF-UHFFFAOYSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide
CID 75364443
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
CID 167832614
(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
CID 95312212
(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
CID 134025652
(E)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethenesulfonamide
CID 2375188
(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
CID 114696836
(E)-N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]-2-phenylethenesulfonamide
CID 6476789
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide
CID 60893294

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-phenylethenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2-phenylethenesulfonamide (CID 77114365) is N-(azetidin-3-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2-phenylethenesulfonamide is O=S(=O)(C=Cc1ccccc1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-phenylethenesulfonamide?
The InChIKey is BTXAMRQUGYRKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-16(15,13-11-8-12-9-11)7-6-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2.
What are the key properties of N-(azetidin-3-yl)-2-phenylethenesulfonamide?
N-(azetidin-3-yl)-2-phenylethenesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 77114365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).