[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone

C24H23NO3S — CID 90586593

IUPAC[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)C3)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-18-7-9-19(10-8-18)20-11-13-21(14-12-20)24(26)25-16-15-23(17-25)29(27,28)22-5-3-2-4-6-22/h2-14,23H,15-17H2,1H3
InChIKeyZGDIBWZNIFIHMG-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.35
Rot. Bonds4

About [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone

[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone (PubChem CID 90586593) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
PubChem CID90586593
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)C3)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-18-7-9-19(10-8-18)20-11-13-21(14-12-20)24(26)25-16-15-23(17-25)29(27,28)22-5-3-2-4-6-22/h2-14,23H,15-17H2,1H3
InChIKeyZGDIBWZNIFIHMG-UHFFFAOYSA-N
XLogP4.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 90584897
[4-[3-(benzenesulfonyl)pyrrolidine-1-carbonyl]phenyl] acetate
CID 90586799
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
CID 129373846
[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 71808743
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
[(3S)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129373838
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 110661953
[4-hydroxy-3-[1-(4-methylphenyl)sulfonylethyl]piperidin-1-yl]-phenylmethanone
CID 67613437
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 90586698
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone?
The IUPAC name of [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone (CID 90586593) is [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone.
What is the SMILES notation for [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone?
The canonical SMILES for [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone is Cc1ccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)C3)cc2)cc1.
What is the InChIKey of [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone?
The InChIKey is ZGDIBWZNIFIHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-18-7-9-19(10-8-18)20-11-13-21(14-12-20)24(26)25-16-15-23(17-25)29(27,28)22-5-3-2-4-6-22/h2-14,23H,15-17H2,1H3.
What are the key properties of [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone?
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone has a molecular weight of 405.52 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone is sourced from PubChem (CID 90586593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).