2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide

C15H24N2O4S — CID 126830200

IUPAC2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NC(CO)CN1CCOCC1
InChIInChI=1S/C15H24N2O4S/c1-2-13-5-3-4-6-15(13)22(19,20)16-14(12-18)11-17-7-9-21-10-8-17/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyZUALFOWXARLVRE-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.22
Rot. Bonds7

About 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide

2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide (PubChem CID 126830200) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide
PubChem CID126830200
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NC(CO)CN1CCOCC1
InChIInChI=1S/C15H24N2O4S/c1-2-13-5-3-4-6-15(13)22(19,20)16-14(12-18)11-17-7-9-21-10-8-17/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyZUALFOWXARLVRE-UHFFFAOYSA-N
XLogP0.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide (CID 126830200) is 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide is CCc1ccccc1S(=O)(=O)NC(CO)CN1CCOCC1.
What is the InChIKey of 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is ZUALFOWXARLVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-2-13-5-3-4-6-15(13)22(19,20)16-14(12-18)11-17-7-9-21-10-8-17/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 126830200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).