1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol

C10H11FN2O5S — CID 62916775

IUPAC1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)C2)c(F)c1
InChIInChI=1S/C10H11FN2O5S/c11-9-5-7(13(15)16)1-2-10(9)19(17,18)12-4-3-8(14)6-12/h1-2,5,8,14H,3-4,6H2
InChIKeyAVRSAPKSFXSTPM-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.49
Rot. Bonds3

About 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol

1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62916775) has the molecular formula C10H11FN2O5S and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
PubChem CID62916775
Molecular FormulaC10H11FN2O5S
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)C2)c(F)c1
InChIInChI=1S/C10H11FN2O5S/c11-9-5-7(13(15)16)1-2-10(9)19(17,18)12-4-3-8(14)6-12/h1-2,5,8,14H,3-4,6H2
InChIKeyAVRSAPKSFXSTPM-UHFFFAOYSA-N
XLogP0.49
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 79031547
1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol
CID 62943650
1-(2-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperazine
CID 65449190
(3R)-1-(2-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104975127
1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680583
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
(3S)-1-(2-methoxy-4-nitrophenyl)sulfonylpiperidin-3-ol
CID 107225013
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol (CID 62916775) is 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)C2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is AVRSAPKSFXSTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5S/c11-9-5-7(13(15)16)1-2-10(9)19(17,18)12-4-3-8(14)6-12/h1-2,5,8,14H,3-4,6H2.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol?
1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 290.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62916775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).