2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine

C19H21NO4S2 — CID 71805898

IUPAC2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
SMILESO=S(=O)(CC1CCCN1S(=O)(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO4S2/c21-25(22,19-11-5-2-6-12-19)16-18-10-7-14-20(18)26(23,24)15-13-17-8-3-1-4-9-17/h1-6,8-9,11-13,15,18H,7,10,14,16H2/b15-13+
InChIKeyGOBNUOUXVSKUMZ-FYWRMAATSA-N
MW391.51 g/mol
LogP2.93
Rot. Bonds6

About 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine

2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine (PubChem CID 71805898) has the molecular formula C19H21NO4S2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
PubChem CID71805898
Molecular FormulaC19H21NO4S2
Molecular Weight391.51 g/mol
Exact Mass391.09
IUPAC Name2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
SMILESO=S(=O)(CC1CCCN1S(=O)(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO4S2/c21-25(22,19-11-5-2-6-12-19)16-18-10-7-14-20(18)26(23,24)15-13-17-8-3-1-4-9-17/h1-6,8-9,11-13,15,18H,7,10,14,16H2/b15-13+
InChIKeyGOBNUOUXVSKUMZ-FYWRMAATSA-N
XLogP2.93
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The IUPAC name of 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine (CID 71805898) is 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine is O=S(=O)(CC1CCCN1S(=O)(=O)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The InChIKey is GOBNUOUXVSKUMZ-FYWRMAATSA-N. The full InChI is InChI=1S/C19H21NO4S2/c21-25(22,19-11-5-2-6-12-19)16-18-10-7-14-20(18)26(23,24)15-13-17-8-3-1-4-9-17/h1-6,8-9,11-13,15,18H,7,10,14,16H2/b15-13+.
What are the key properties of 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine has a molecular weight of 391.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine is sourced from PubChem (CID 71805898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).