N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide

C13H20N2O6S — CID 3051918

IUPACN-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C13H20N2O6S/c1-18-11-8-10(9-12(19-2)13(11)20-3)14-22(16,17)15-4-6-21-7-5-15/h8-9,14H,4-7H2,1-3H3
InChIKeyQVSDHVZJCGHPSD-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.70
Rot. Bonds6

About N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide

N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide (PubChem CID 3051918) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide
PubChem CID3051918
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC NameN-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C13H20N2O6S/c1-18-11-8-10(9-12(19-2)13(11)20-3)14-22(16,17)15-4-6-21-7-5-15/h8-9,14H,4-7H2,1-3H3
InChIKeyQVSDHVZJCGHPSD-UHFFFAOYSA-N
XLogP0.70
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide (CID 3051918) is N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide is COc1cc(NS(=O)(=O)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide?
The InChIKey is QVSDHVZJCGHPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-18-11-8-10(9-12(19-2)13(11)20-3)14-22(16,17)15-4-6-21-7-5-15/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide?
N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide is sourced from PubChem (CID 3051918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).