(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine

C16H16FNO4S2 — CID 97354919

IUPAC(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H16FNO4S2/c17-13-6-8-15(9-7-13)24(21,22)18-11-10-16(12-18)23(19,20)14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyHPNHXUKXCPKTFS-MRXNPFEDSA-N
MW369.44 g/mol
LogP2.06
Rot. Bonds4

About (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine

(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine (PubChem CID 97354919) has the molecular formula C16H16FNO4S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
PubChem CID97354919
Molecular FormulaC16H16FNO4S2
Molecular Weight369.44 g/mol
Exact Mass369.05
IUPAC Name(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H16FNO4S2/c17-13-6-8-15(9-7-13)24(21,22)18-11-10-16(12-18)23(19,20)14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyHPNHXUKXCPKTFS-MRXNPFEDSA-N
XLogP2.06
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
3-(benzenesulfonyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 90584959
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine
CID 90585024
(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
CID 99903355
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine (CID 97354919) is (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is HPNHXUKXCPKTFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16FNO4S2/c17-13-6-8-15(9-7-13)24(21,22)18-11-10-16(12-18)23(19,20)14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-/m1/s1.
What are the key properties of (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine?
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 369.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 97354919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).