1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide

C12H15N3O3S — CID 83016499

IUPAC1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NN2CCOCC2)cc1
InChIInChI=1S/C12H15N3O3S/c13-9-11-1-3-12(4-2-11)10-19(16,17)14-15-5-7-18-8-6-15/h1-4,14H,5-8,10H2
InChIKeyQAZIKZQZNBYNGW-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.22
Rot. Bonds4

About 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide

1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide (PubChem CID 83016499) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide
PubChem CID83016499
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NN2CCOCC2)cc1
InChIInChI=1S/C12H15N3O3S/c13-9-11-1-3-12(4-2-11)10-19(16,17)14-15-5-7-18-8-6-15/h1-4,14H,5-8,10H2
InChIKeyQAZIKZQZNBYNGW-UHFFFAOYSA-N
XLogP0.22
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide (CID 83016499) is 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide is N#Cc1ccc(CS(=O)(=O)NN2CCOCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide?
The InChIKey is QAZIKZQZNBYNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c13-9-11-1-3-12(4-2-11)10-19(16,17)14-15-5-7-18-8-6-15/h1-4,14H,5-8,10H2.
What are the key properties of 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide?
1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide is sourced from PubChem (CID 83016499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).