1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine

C16H15Cl2NO4S2 — CID 90587928

IUPAC1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15Cl2NO4S2/c17-12-1-5-14(6-2-12)24(20,21)16-9-10-19(11-16)25(22,23)15-7-3-13(18)4-8-15/h1-8,16H,9-11H2
InChIKeyJFNGWTLESCXUPU-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.23
Rot. Bonds4

About 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine

1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine (PubChem CID 90587928) has the molecular formula C16H15Cl2NO4S2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine.

Molecular Properties

Compound Name1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
PubChem CID90587928
Molecular FormulaC16H15Cl2NO4S2
Molecular Weight420.34 g/mol
Exact Mass418.98
IUPAC Name1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15Cl2NO4S2/c17-12-1-5-14(6-2-12)24(20,21)16-9-10-19(11-16)25(22,23)15-7-3-13(18)4-8-15/h1-8,16H,9-11H2
InChIKeyJFNGWTLESCXUPU-UHFFFAOYSA-N
XLogP3.23
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-thiophen-2-ylsulfonylpyrrolidine
CID 90587859
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90587901
3-(bromomethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 80675042
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
CID 154870443
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine
CID 90587931

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine?
The IUPAC name of 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine (CID 90587928) is 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine.
What is the SMILES notation for 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine?
The canonical SMILES for 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine is O=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine?
The InChIKey is JFNGWTLESCXUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S2/c17-12-1-5-14(6-2-12)24(20,21)16-9-10-19(11-16)25(22,23)15-7-3-13(18)4-8-15/h1-8,16H,9-11H2.
What are the key properties of 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine?
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine has a molecular weight of 420.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine is sourced from PubChem (CID 90587928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).