2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine

C23H23NO4S2 — CID 90587549

IUPAC2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine
SMILESO=S(=O)(CC1CCCN1S(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H23NO4S2/c25-29(26,22-13-5-2-6-14-22)18-21-12-8-16-24(21)30(27,28)23-15-7-11-20(17-23)19-9-3-1-4-10-19/h1-7,9-11,13-15,17,21H,8,12,16,18H2
InChIKeyCMZSCWRJLRMJNY-UHFFFAOYSA-N
MW441.57 g/mol
LogP3.98
Rot. Bonds6

About 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine

2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine (PubChem CID 90587549) has the molecular formula C23H23NO4S2 and a molecular weight of 441.57 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine
PubChem CID90587549
Molecular FormulaC23H23NO4S2
Molecular Weight441.57 g/mol
Exact Mass441.11
IUPAC Name2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine
SMILESO=S(=O)(CC1CCCN1S(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H23NO4S2/c25-29(26,22-13-5-2-6-14-22)18-21-12-8-16-24(21)30(27,28)23-15-7-11-20(17-23)19-9-3-1-4-10-19/h1-7,9-11,13-15,17,21H,8,12,16,18H2
InChIKeyCMZSCWRJLRMJNY-UHFFFAOYSA-N
XLogP3.98
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 90585721
2-(benzenesulfonylmethyl)-1-(4-tert-butylphenyl)sulfonylpyrrolidine
CID 90585750
2-(benzenesulfonylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90585734
2-(benzenesulfonylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine
CID 90585751
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 90585727
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
2-(benzenesulfonylmethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 90585735
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
(2S)-2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 97415020
2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
CID 24627301
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 90585651

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine (CID 90587549) is 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine is O=S(=O)(CC1CCCN1S(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine?
The InChIKey is CMZSCWRJLRMJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S2/c25-29(26,22-13-5-2-6-14-22)18-21-12-8-16-24(21)30(27,28)23-15-7-11-20(17-23)19-9-3-1-4-10-19/h1-7,9-11,13-15,17,21H,8,12,16,18H2.
What are the key properties of 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine?
2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine has a molecular weight of 441.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 90587549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).