3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine

C17H16ClF2NO4S2 — CID 90587931

IUPAC3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H16ClF2NO4S2/c18-13-1-3-16(4-2-13)27(24,25)17-5-6-21(10-17)26(22,23)11-12-7-14(19)9-15(20)8-12/h1-4,7-9,17H,5-6,10-11H2
InChIKeyPSYAPXSFFRULJP-UHFFFAOYSA-N
MW435.90 g/mol
LogP3.00
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine

3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine (PubChem CID 90587931) has the molecular formula C17H16ClF2NO4S2 and a molecular weight of 435.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine
PubChem CID90587931
Molecular FormulaC17H16ClF2NO4S2
Molecular Weight435.90 g/mol
Exact Mass435.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H16ClF2NO4S2/c18-13-1-3-16(4-2-13)27(24,25)17-5-6-21(10-17)26(22,23)11-12-7-14(19)9-15(20)8-12/h1-4,7-9,17H,5-6,10-11H2
InChIKeyPSYAPXSFFRULJP-UHFFFAOYSA-N
XLogP3.00
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.90
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine
CID 90595225
3-(benzenesulfonyl)-1-[(3-fluorophenyl)methylsulfonyl]pyrrolidine
CID 71805609
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine
CID 71806043
3-(benzenesulfonyl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 90584961
4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
CID 11825520
(3S)-1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-3-amine;hydrochloride
CID 167960398
1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
CID 90595184
3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine
CID 90587859
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine (CID 90587931) is 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine is O=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine?
The InChIKey is PSYAPXSFFRULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO4S2/c18-13-1-3-16(4-2-13)27(24,25)17-5-6-21(10-17)26(22,23)11-12-7-14(19)9-15(20)8-12/h1-4,7-9,17H,5-6,10-11H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine?
3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine has a molecular weight of 435.90 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 90587931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).