[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H14F2N2O3S — CID 65020971

IUPAC[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNc1cc(F)c(F)c(S(=O)(=O)N2CCCC2CO)c1
InChIInChI=1S/C11H14F2N2O3S/c12-9-4-7(14)5-10(11(9)13)19(17,18)15-3-1-2-8(15)6-16/h4-5,8,16H,1-3,6,14H2
InChIKeyNIECSKKGIGWRSO-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.69
Rot. Bonds3

About [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 65020971) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID65020971
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNc1cc(F)c(F)c(S(=O)(=O)N2CCCC2CO)c1
InChIInChI=1S/C11H14F2N2O3S/c12-9-4-7(14)5-10(11(9)13)19(17,18)15-3-1-2-8(15)6-16/h4-5,8,16H,1-3,6,14H2
InChIKeyNIECSKKGIGWRSO-UHFFFAOYSA-N
XLogP0.69
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212249
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
3-[1-(4-amino-2,6-difluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469509
[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 63321960
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367
[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 61112099
3-(2-ethylpiperidin-1-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80646546
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
3-fluoro-4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 79186864
2,6-difluoro-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215276
2-[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796776
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 65020971) is [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol is Nc1cc(F)c(F)c(S(=O)(=O)N2CCCC2CO)c1.
What is the InChIKey of [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is NIECSKKGIGWRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-9-4-7(14)5-10(11(9)13)19(17,18)15-3-1-2-8(15)6-16/h4-5,8,16H,1-3,6,14H2.
What are the key properties of [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 292.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 65020971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).