(3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride

C10H13ClFNO2S — CID 170911583

IUPAC(3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C10H12FNO2S.ClH/c11-15(13,14)10-7-12-6-9(10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2;1H/t9-,10+;/m0./s1
InChIKeyNXSOGOGELPMFNB-BAUSSPIASA-N
MW265.74 g/mol
LogP1.46
Rot. Bonds2

About (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride

(3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride (PubChem CID 170911583) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride
PubChem CID170911583
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name(3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C10H12FNO2S.ClH/c11-15(13,14)10-7-12-6-9(10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2;1H/t9-,10+;/m0./s1
InChIKeyNXSOGOGELPMFNB-BAUSSPIASA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
oxalic acid;bis((3S,4R)-4-phenylpyrrolidin-3-ol)
CID 86811208
[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014533
carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine
CID 161253408
1-(4-phenylpyrrolidin-3-yl)ethanol
CID 23009402
N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide
CID 167794123
(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552
(3S,4R)-4-(benzenesulfonyl)pyrrolidine-3-carboxylic acid
CID 97184046
(2-methylsulfonylcyclopropyl)benzene
CID 89149052
trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide
CID 68572736

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride?
The IUPAC name of (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride (CID 170911583) is (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride is Cl.O=S(=O)(F)[C@@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride?
The InChIKey is NXSOGOGELPMFNB-BAUSSPIASA-N. The full InChI is InChI=1S/C10H12FNO2S.ClH/c11-15(13,14)10-7-12-6-9(10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2;1H/t9-,10+;/m0./s1.
What are the key properties of (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride?
(3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride is sourced from PubChem (CID 170911583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).