N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide

C14H19ClN2O2S — CID 77114927

IUPACN-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c1-2-8-17(14-10-16-11-14)20(18,19)9-7-12-3-5-13(15)6-4-12/h3-7,9,14,16H,2,8,10-11H2,1H3
InChIKeyYQUNFTODOQDOSU-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.32
Rot. Bonds6

About N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide

N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide (PubChem CID 77114927) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
PubChem CID77114927
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC NameN-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c1-2-8-17(14-10-16-11-14)20(18,19)9-7-12-3-5-13(15)6-4-12/h3-7,9,14,16H,2,8,10-11H2,1H3
InChIKeyYQUNFTODOQDOSU-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide (CID 77114927) is N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide is CCCN(C1CNC1)S(=O)(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide?
The InChIKey is YQUNFTODOQDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-2-8-17(14-10-16-11-14)20(18,19)9-7-12-3-5-13(15)6-4-12/h3-7,9,14,16H,2,8,10-11H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide?
N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide has a molecular weight of 314.84 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide is sourced from PubChem (CID 77114927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).