2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine

C15H16ClNO4S3 — CID 90585727

IUPAC2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
SMILESO=S(=O)(CC1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H16ClNO4S3/c16-14-8-9-15(22-14)24(20,21)17-10-4-5-12(17)11-23(18,19)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2
InChIKeyANIVPDLPLQCXGE-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.03
Rot. Bonds5

About 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine

2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine (PubChem CID 90585727) has the molecular formula C15H16ClNO4S3 and a molecular weight of 405.95 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
PubChem CID90585727
Molecular FormulaC15H16ClNO4S3
Molecular Weight405.95 g/mol
Exact Mass404.99
IUPAC Name2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
SMILESO=S(=O)(CC1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H16ClNO4S3/c16-14-8-9-15(22-14)24(20,21)17-10-4-5-12(17)11-23(18,19)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2
InChIKeyANIVPDLPLQCXGE-UHFFFAOYSA-N
XLogP3.03
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
2-(benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 90585721
1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543
2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine
CID 90587549
2-(benzenesulfonylmethyl)-1-(4-tert-butylphenyl)sulfonylpyrrolidine
CID 90585750
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
2-(benzenesulfonylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine
CID 90585751
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine (CID 90585727) is 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine is O=S(=O)(CC1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is ANIVPDLPLQCXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S3/c16-14-8-9-15(22-14)24(20,21)17-10-4-5-12(17)11-23(18,19)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2.
What are the key properties of 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 405.95 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 90585727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).