N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide

C7H15F2NO4S — CID 103731723

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H15F2NO4S/c1-14-3-2-4-15(12,13)10-5-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3
InChIKeyVFYZZYVDJKIGSA-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.43
Rot. Bonds8

About N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide (PubChem CID 103731723) has the molecular formula C7H15F2NO4S and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
PubChem CID103731723
Molecular FormulaC7H15F2NO4S
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H15F2NO4S/c1-14-3-2-4-15(12,13)10-5-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3
InChIKeyVFYZZYVDJKIGSA-UHFFFAOYSA-N
XLogP-0.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.43
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-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
CID 104936720
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide (CID 103731723) is N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is VFYZZYVDJKIGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO4S/c1-14-3-2-4-15(12,13)10-5-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 247.26 g/mol, XLogP of -0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 103731723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).