3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine

C14H14ClNO4S3 — CID 90587859

IUPAC3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H14ClNO4S3/c15-11-3-5-12(6-4-11)22(17,18)13-7-8-16(10-13)23(19,20)14-2-1-9-21-14/h1-6,9,13H,7-8,10H2
InChIKeyPFDRVUKMIDQTDK-UHFFFAOYSA-N
MW391.92 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine

3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine (PubChem CID 90587859) has the molecular formula C14H14ClNO4S3 and a molecular weight of 391.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine
PubChem CID90587859
Molecular FormulaC14H14ClNO4S3
Molecular Weight391.92 g/mol
Exact Mass390.98
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H14ClNO4S3/c15-11-3-5-12(6-4-11)22(17,18)13-7-8-16(10-13)23(19,20)14-2-1-9-21-14/h1-6,9,13H,7-8,10H2
InChIKeyPFDRVUKMIDQTDK-UHFFFAOYSA-N
XLogP2.64
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine
CID 90595170
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine (CID 90587859) is 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine is O=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine?
The InChIKey is PFDRVUKMIDQTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S3/c15-11-3-5-12(6-4-11)22(17,18)13-7-8-16(10-13)23(19,20)14-2-1-9-21-14/h1-6,9,13H,7-8,10H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine?
3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine has a molecular weight of 391.92 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 90587859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).