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

C10H11FN2O5S — CID 82854595

IUPAC(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C10H11FN2O5S/c11-9-5-8(1-2-10(9)13(15)16)19(17,18)12-4-3-7(14)6-12/h1-2,5,7,14H,3-4,6H2/t7-/m1/s1
InChIKeyPEPDXHMCCIUXMC-SSDOTTSWSA-N
MW290.27 g/mol
LogP0.49
Rot. Bonds3

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

(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 82854595) has the molecular formula C10H11FN2O5S and a molecular weight of 290.27 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
PubChem CID82854595
Molecular FormulaC10H11FN2O5S
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C10H11FN2O5S/c11-9-5-8(1-2-10(9)13(15)16)19(17,18)12-4-3-7(14)6-12/h1-2,5,7,14H,3-4,6H2/t7-/m1/s1
InChIKeyPEPDXHMCCIUXMC-SSDOTTSWSA-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

1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 82846589
(3S)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 79031547
1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
CID 82855183
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
1-(3-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperidine
CID 82840446
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680548
1-(3-fluoro-4-nitrophenyl)sulfonyl-4,4-dimethylpiperidine
CID 82847121
1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 62916775
(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727
2-[1-(3-fluoro-4-nitrophenyl)sulfonylazetidin-3-yl]acetic acid
CID 82846592
2-ethyl-4-(3-fluoro-4-nitrophenyl)sulfonylmorpholine
CID 82846633

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol (CID 82854595) is (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol is O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1F.
What is the InChIKey of (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is PEPDXHMCCIUXMC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11FN2O5S/c11-9-5-8(1-2-10(9)13(15)16)19(17,18)12-4-3-7(14)6-12/h1-2,5,7,14H,3-4,6H2/t7-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(3-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 (3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 82854595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).