[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone

C24H23NO3S — CID 90585651

IUPAC[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCCC1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23NO3S/c26-24(21-15-13-20(14-16-21)19-8-3-1-4-9-19)25-17-7-10-22(25)18-29(27,28)23-11-5-2-6-12-23/h1-6,8-9,11-16,22H,7,10,17-18H2
InChIKeyXDGIDIGPKVUKNX-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.43
Rot. Bonds5

About [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone

[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 90585651) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID90585651
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCCC1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23NO3S/c26-24(21-15-13-20(14-16-21)19-8-3-1-4-9-19)25-17-7-10-22(25)18-29(27,28)23-11-5-2-6-12-23/h1-6,8-9,11-16,22H,7,10,17-18H2
InChIKeyXDGIDIGPKVUKNX-UHFFFAOYSA-N
XLogP4.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 71805873
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90585694
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90585697
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone
CID 90585646
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 90585652
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 90585599
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 90585607
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 90585577
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 90585615

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone (CID 90585651) is [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCCC1CS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is XDGIDIGPKVUKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c26-24(21-15-13-20(14-16-21)19-8-3-1-4-9-19)25-17-7-10-22(25)18-29(27,28)23-11-5-2-6-12-23/h1-6,8-9,11-16,22H,7,10,17-18H2.
What are the key properties of [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 405.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 90585651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).