N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide

C12H15N3O2S — CID 66183415

IUPACN-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C12H15N3O2S/c1-2-15(11-8-14-9-11)18(16,17)12-5-3-4-10(6-12)7-13/h3-6,11,14H,2,8-9H2,1H3
InChIKeyDGLRLAADMZROKK-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.54
Rot. Bonds4

About N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide

N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide (PubChem CID 66183415) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide
PubChem CID66183415
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C12H15N3O2S/c1-2-15(11-8-14-9-11)18(16,17)12-5-3-4-10(6-12)7-13/h3-6,11,14H,2,8-9H2,1H3
InChIKeyDGLRLAADMZROKK-UHFFFAOYSA-N
XLogP0.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
CID 78982763
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
N-(azetidin-3-yl)-1-(4-cyanophenyl)-N-ethylmethanesulfonamide
CID 66183203
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
N-butyl-3-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 129370560
2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205910
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide (CID 66183415) is N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide is CCN(C1CNC1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide?
The InChIKey is DGLRLAADMZROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-15(11-8-14-9-11)18(16,17)12-5-3-4-10(6-12)7-13/h3-6,11,14H,2,8-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide?
N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide is sourced from PubChem (CID 66183415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).