(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine

C25H27NO2S — CID 157385773

IUPAC(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine
SMILESCc1ccc(S(=O)(=O)C2[C@H](c3ccccc3)C(c3ccccc3)NC2(C)C)cc1
InChIInChI=1S/C25H27NO2S/c1-18-14-16-21(17-15-18)29(27,28)24-22(19-10-6-4-7-11-19)23(26-25(24,2)3)20-12-8-5-9-13-20/h4-17,22-24,26H,1-3H3/t22-,23?,24?/m1/s1
InChIKeyBLKHBXFVCUJRMN-ZKMFCFPVSA-N
MW405.56 g/mol
LogP5.04
Rot. Bonds4

About (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine

(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine (PubChem CID 157385773) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine
PubChem CID157385773
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC Name(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine
SMILESCc1ccc(S(=O)(=O)C2[C@H](c3ccccc3)C(c3ccccc3)NC2(C)C)cc1
InChIInChI=1S/C25H27NO2S/c1-18-14-16-21(17-15-18)29(27,28)24-22(19-10-6-4-7-11-19)23(26-25(24,2)3)20-12-8-5-9-13-20/h4-17,22-24,26H,1-3H3/t22-,23?,24?/m1/s1
InChIKeyBLKHBXFVCUJRMN-ZKMFCFPVSA-N
XLogP5.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene
CID 134982597
1-amino-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropane-1-carboxylic acid
CID 102569182
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
propan-2-yl (4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine-2-carboxylate
CID 10739825
N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide
CID 101495725
(2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane
CID 177499409
ethyl 1-(aminomethyl)-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropane-1-carboxylate
CID 102569168
[1-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropyl]methanamine
CID 102569176
1-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropane-1-carbonitrile
CID 102569165
(1R,2R,3S)-2-(benzenesulfonyl)-1-(hydroxymethyl)-3-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 124746733
tert-butyl N-[(1S,2S,3R)-1-formyl-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropyl]carbamate
CID 129412871

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine?
The IUPAC name of (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine (CID 157385773) is (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine.
What is the SMILES notation for (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine?
The canonical SMILES for (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine is Cc1ccc(S(=O)(=O)C2[C@H](c3ccccc3)C(c3ccccc3)NC2(C)C)cc1.
What is the InChIKey of (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine?
The InChIKey is BLKHBXFVCUJRMN-ZKMFCFPVSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-18-14-16-21(17-15-18)29(27,28)24-22(19-10-6-4-7-11-19)23(26-25(24,2)3)20-12-8-5-9-13-20/h4-17,22-24,26H,1-3H3/t22-,23?,24?/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine?
(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine has a molecular weight of 405.56 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine is sourced from PubChem (CID 157385773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).