(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol

C14H14FNO3S — CID 131909896

IUPAC(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccc2ccccc12)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C14H14FNO3S/c15-12-8-16(9-13(12)17)20(18,19)14-7-3-5-10-4-1-2-6-11(10)14/h1-7,12-13,17H,8-9H2/t12-,13-/m1/s1
InChIKeyYYDPCNYJMJAYPQ-CHWSQXEVSA-N
MW295.33 g/mol
LogP1.54
Rot. Bonds2

About (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol

(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol (PubChem CID 131909896) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol
PubChem CID131909896
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccc2ccccc12)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C14H14FNO3S/c15-12-8-16(9-13(12)17)20(18,19)14-7-3-5-10-4-1-2-6-11(10)14/h1-7,12-13,17H,8-9H2/t12-,13-/m1/s1
InChIKeyYYDPCNYJMJAYPQ-CHWSQXEVSA-N
XLogP1.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
(3R,4R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-fluoropyrrolidin-3-ol
CID 131927977
4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
CID 114795554
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
naphthalene-1-sulfonic acid
CID 158712346
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine
CID 131703026
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol (CID 131909896) is (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol is O=S(=O)(c1cccc2ccccc12)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol?
The InChIKey is YYDPCNYJMJAYPQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-12-8-16(9-13(12)17)20(18,19)14-7-3-5-10-4-1-2-6-11(10)14/h1-7,12-13,17H,8-9H2/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol?
(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol has a molecular weight of 295.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 131909896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).