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

C7H14F2N2O3S — CID 104858688

IUPACN-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)CO)N1CCCC1
InChIInChI=1S/C7H14F2N2O3S/c8-7(9,6-12)5-10-15(13,14)11-3-1-2-4-11/h10,12H,1-6H2
InChIKeyUWAHUGLUSHZZBU-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.46
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide (PubChem CID 104858688) has the molecular formula C7H14F2N2O3S and a molecular weight of 244.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide
PubChem CID104858688
Molecular FormulaC7H14F2N2O3S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)CO)N1CCCC1
InChIInChI=1S/C7H14F2N2O3S/c8-7(9,6-12)5-10-15(13,14)11-3-1-2-4-11/h10,12H,1-6H2
InChIKeyUWAHUGLUSHZZBU-UHFFFAOYSA-N
XLogP-0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 66171400
N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
CID 113462919
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide
CID 107848008
N'-hydroxy-2,2-dimethyl-3-(pyrrolidin-1-ylsulfonylamino)propanimidamide
CID 104873859
N-ethylazepane-1-sulfonamide
CID 43213421
2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 104858019
2-[4-(2,2,2-trifluoroethylsulfamoyl)-1,4-diazepan-1-yl]acetic acid
CID 114805951
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-(4-chloro-2,2-dimethylbutyl)azepane-1-sulfonamide
CID 106146071
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
CID 106176895
N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide
CID 103836832

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide (CID 104858688) is N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCC(F)(F)CO)N1CCCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide?
The InChIKey is UWAHUGLUSHZZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O3S/c8-7(9,6-12)5-10-15(13,14)11-3-1-2-4-11/h10,12H,1-6H2.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide has a molecular weight of 244.26 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104858688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).