1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine

C17H19NO3S — CID 852203

IUPAC1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-21-16-8-4-14(5-9-16)15-6-10-17(11-7-15)22(19,20)18-12-2-3-13-18/h4-11H,2-3,12-13H2,1H3
InChIKeyBNCYZPMMBKWPDV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.15
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine

1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine (PubChem CID 852203) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine
PubChem CID852203
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-21-16-8-4-14(5-9-16)15-6-10-17(11-7-15)22(19,20)18-12-2-3-13-18/h4-11H,2-3,12-13H2,1H3
InChIKeyBNCYZPMMBKWPDV-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[4-Methoxyphenyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 10784411
4-[2-(3-Fluoro-4-methoxy-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10269175
N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-(6-Methoxy-naphthalene-2-sulfonyl)-pyrrolidine
CID 1085520
4-(2-(4-Methoxyphenyl)cyclopent-1-enyl)benzenesulfonamide
CID 10592466
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
(E)-1-(4-methoxyphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193144
1'-((4'-Methoxy-[1,1'-biphenyl]-4-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308435
US10689357, Example 25
CID 146249074
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
1-(4-Methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
CID 850045
[2-(4-Methoxyphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479866

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine (CID 852203) is 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine is COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine?
The InChIKey is BNCYZPMMBKWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-21-16-8-4-14(5-9-16)15-6-10-17(11-7-15)22(19,20)18-12-2-3-13-18/h4-11H,2-3,12-13H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine?
1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine has a molecular weight of 317.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 852203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).