1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine

C20H24N2O6S3 — CID 1379160

IUPAC1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H24N2O6S3/c23-29(24,17-7-5-9-19(15-17)30(25,26)21-11-1-2-12-21)18-8-6-10-20(16-18)31(27,28)22-13-3-4-14-22/h5-10,15-16H,1-4,11-14H2
InChIKeyPNHXHBPAIXTOFK-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.09
Rot. Bonds6

About 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine

1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine (PubChem CID 1379160) has the molecular formula C20H24N2O6S3 and a molecular weight of 484.62 g/mol. Its IUPAC name is 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
PubChem CID1379160
Molecular FormulaC20H24N2O6S3
Molecular Weight484.62 g/mol
Exact Mass484.08
IUPAC Name1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H24N2O6S3/c23-29(24,17-7-5-9-19(15-17)30(25,26)21-11-1-2-12-21)18-8-6-10-20(16-18)31(27,28)22-13-3-4-14-22/h5-10,15-16H,1-4,11-14H2
InChIKeyPNHXHBPAIXTOFK-UHFFFAOYSA-N
XLogP2.09
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Benzenesulfonyl-benzenesulfonyl)-piperidine
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3-[3-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylbenzenesulfonamide
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1-[3-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1435634
1-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine
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1-({3-[(1,1-Dioxidotetrahydrothiophen-3-yl)sulfonyl]phenyl}sulfonyl)azepane
CID 42654138
1-({3-[(1,1-Dioxidotetrahydrothiophen-3-yl)sulfonyl]phenyl}sulfonyl)pyrrolidine
CID 42654597
(S)-1-(cyclohexylsulfonyl)-3-(phenylsulfonyl)pyrrolidine
CID 97354918
1-(4-{[4-(Pyrrolidine-1-sulfonyl)phenyl]sulfanyl}benzenesulfonyl)pyrrolidine
CID 1079034
Phenyl 3-(1-pyrrolidinylsulfonyl)phenyl sulfone
CID 1079036
1,1'-[Sulfonylbis(3,1-phenylenesulfonyl)]dipiperidine
CID 2833500
N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 3202145

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine (CID 1379160) is 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine is O=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine?
The InChIKey is PNHXHBPAIXTOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S3/c23-29(24,17-7-5-9-19(15-17)30(25,26)21-11-1-2-12-21)18-8-6-10-20(16-18)31(27,28)22-13-3-4-14-22/h5-10,15-16H,1-4,11-14H2.
What are the key properties of 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine?
1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine has a molecular weight of 484.62 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine is sourced from PubChem (CID 1379160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).