N-(trifluoromethyl)morpholine-4-sulfonamide

C5H9F3N2O3S — CID 22008399

IUPACN-(trifluoromethyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NC(F)(F)F)N1CCOCC1
InChIInChI=1S/C5H9F3N2O3S/c6-5(7,8)9-14(11,12)10-1-3-13-4-2-10/h9H,1-4H2
InChIKeyNIWSYXIAVGULLP-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.33
Rot. Bonds2

About N-(trifluoromethyl)morpholine-4-sulfonamide

N-(trifluoromethyl)morpholine-4-sulfonamide (PubChem CID 22008399) has the molecular formula C5H9F3N2O3S and a molecular weight of 234.20 g/mol. Its IUPAC name is N-(trifluoromethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)morpholine-4-sulfonamide
PubChem CID22008399
Molecular FormulaC5H9F3N2O3S
Molecular Weight234.20 g/mol
Exact Mass234.03
IUPAC NameN-(trifluoromethyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NC(F)(F)F)N1CCOCC1
InChIInChI=1S/C5H9F3N2O3S/c6-5(7,8)9-14(11,12)10-1-3-13-4-2-10/h9H,1-4H2
InChIKeyNIWSYXIAVGULLP-UHFFFAOYSA-N
XLogP-0.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)morpholine-4-sulfonamide?
The IUPAC name of N-(trifluoromethyl)morpholine-4-sulfonamide (CID 22008399) is N-(trifluoromethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(trifluoromethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(trifluoromethyl)morpholine-4-sulfonamide is O=S(=O)(NC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(trifluoromethyl)morpholine-4-sulfonamide?
The InChIKey is NIWSYXIAVGULLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O3S/c6-5(7,8)9-14(11,12)10-1-3-13-4-2-10/h9H,1-4H2.
What are the key properties of N-(trifluoromethyl)morpholine-4-sulfonamide?
N-(trifluoromethyl)morpholine-4-sulfonamide has a molecular weight of 234.20 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 22008399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).