bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone

C21H24N2O5S2 — CID 1205752

IUPACbis(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H24N2O5S2/c24-21(17-7-5-9-19(15-17)29(25,26)22-11-1-2-12-22)18-8-6-10-20(16-18)30(27,28)23-13-3-4-14-23/h5-10,15-16H,1-4,11-14H2
InChIKeyCYZINGGSCSCEJL-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.49
Rot. Bonds6

About bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone

bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 1205752) has the molecular formula C21H24N2O5S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Namebis(3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID1205752
Molecular FormulaC21H24N2O5S2
Molecular Weight448.57 g/mol
Exact Mass448.11
IUPAC Namebis(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H24N2O5S2/c24-21(17-7-5-9-19(15-17)29(25,26)22-11-1-2-12-22)18-8-6-10-20(16-18)30(27,28)23-13-3-4-14-23/h5-10,15-16H,1-4,11-14H2
InChIKeyCYZINGGSCSCEJL-UHFFFAOYSA-N
XLogP2.49
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 1205752) is bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is CYZINGGSCSCEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S2/c24-21(17-7-5-9-19(15-17)29(25,26)22-11-1-2-12-22)18-8-6-10-20(16-18)30(27,28)23-13-3-4-14-23/h5-10,15-16H,1-4,11-14H2.
What are the key properties of bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 448.57 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1205752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).