2-methyl-N-morpholin-4-ylbenzenesulfonamide

C11H16N2O3S — CID 83024530

IUPAC2-methyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C11H16N2O3S/c1-10-4-2-3-5-11(10)17(14,15)12-13-6-8-16-9-7-13/h2-5,12H,6-9H2,1H3
InChIKeyAZNLXKQOVQWCDE-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.52
Rot. Bonds3

About 2-methyl-N-morpholin-4-ylbenzenesulfonamide

2-methyl-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83024530) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methyl-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83024530
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-methyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C11H16N2O3S/c1-10-4-2-3-5-11(10)17(14,15)12-13-6-8-16-9-7-13/h2-5,12H,6-9H2,1H3
InChIKeyAZNLXKQOVQWCDE-UHFFFAOYSA-N
XLogP0.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-N-morpholin-4-ylbenzenesulfonamide (CID 83024530) is 2-methyl-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-N-morpholin-4-ylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NN1CCOCC1.
What is the InChIKey of 2-methyl-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is AZNLXKQOVQWCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-10-4-2-3-5-11(10)17(14,15)12-13-6-8-16-9-7-13/h2-5,12H,6-9H2,1H3.
What are the key properties of 2-methyl-N-morpholin-4-ylbenzenesulfonamide?
2-methyl-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83024530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).