3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide

C7H14F3NO4S — CID 103727763

IUPAC3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S/c1-15-3-2-4-16(13,14)11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyYXAFVUAVBAPGRX-UHFFFAOYSA-N
MW265.25 g/mol
LogP-0.13
Rot. Bonds7

About 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide

3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide (PubChem CID 103727763) has the molecular formula C7H14F3NO4S and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide
PubChem CID103727763
Molecular FormulaC7H14F3NO4S
Molecular Weight265.25 g/mol
Exact Mass265.06
IUPAC Name3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S/c1-15-3-2-4-16(13,14)11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyYXAFVUAVBAPGRX-UHFFFAOYSA-N
XLogP-0.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide
CID 39237442
1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxypropyl)propane-1-sulfonamide
CID 88174769
1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-hydroxypropyl)-1-butanesulfonamide
CID 118595006
2-Hydroxy-1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propane-1-sulfonic acid
CID 155619022
2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide
CID 156771285
2-(Trifluoromethylsulfonylamino)ethyl propane-1-sulfonate
CID 169717503
2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide
CID 174332273
Dimethyl ammonio-2-hydroxyl-1-propane sulfonate
CID 129849176
1,1,1-trifluoro-N-(2-hydroxypropyl)methanesulfonamide
CID 43502308
1,1-difluoro-N-(2-hydroxypropyl)methanesulfonamide
CID 43502321
1,1-difluoro-N-(2-hydroxy-3-methoxypropyl)methanesulfonamide
CID 64285128
1-hydroxy-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
CID 65740538

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide (CID 103727763) is 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide is COCCCS(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide?
The InChIKey is YXAFVUAVBAPGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO4S/c1-15-3-2-4-16(13,14)11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide?
3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide has a molecular weight of 265.25 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propane-1-sulfonamide is sourced from PubChem (CID 103727763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).