4-(2-morpholin-4-ylethoxy)benzenesulfonamide

C12H18N2O4S — CID 18971452

IUPAC4-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C12H18N2O4S/c13-19(15,16)12-3-1-11(2-4-12)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H2,13,15,16)
InChIKeyWAKMPLDWYRISBC-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.05
Rot. Bonds5

About 4-(2-morpholin-4-ylethoxy)benzenesulfonamide

4-(2-morpholin-4-ylethoxy)benzenesulfonamide (PubChem CID 18971452) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethoxy)benzenesulfonamide
PubChem CID18971452
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C12H18N2O4S/c13-19(15,16)12-3-1-11(2-4-12)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H2,13,15,16)
InChIKeyWAKMPLDWYRISBC-UHFFFAOYSA-N
XLogP0.05
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The IUPAC name of 4-(2-morpholin-4-ylethoxy)benzenesulfonamide (CID 18971452) is 4-(2-morpholin-4-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 4-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The canonical SMILES for 4-(2-morpholin-4-ylethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The InChIKey is WAKMPLDWYRISBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c13-19(15,16)12-3-1-11(2-4-12)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H2,13,15,16).
What are the key properties of 4-(2-morpholin-4-ylethoxy)benzenesulfonamide?
4-(2-morpholin-4-ylethoxy)benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 18971452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).