(2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol

C18H21NO3S — CID 164676738

IUPAC(2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@H](O)[C@H]2c2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO3S/c1-13-6-8-16(9-7-13)23(21,22)19-11-10-17(20)18(19)15-5-3-4-14(2)12-15/h3-9,12,17-18,20H,10-11H2,1-2H3/t17-,18+/m0/s1
InChIKeyAMPLWWIQEHRSHB-ZWKOTPCHSA-N
MW331.44 g/mol
LogP2.80
Rot. Bonds3

About (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol

(2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 164676738) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID164676738
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@H](O)[C@H]2c2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO3S/c1-13-6-8-16(9-7-13)23(21,22)19-11-10-17(20)18(19)15-5-3-4-14(2)12-15/h3-9,12,17-18,20H,10-11H2,1-2H3/t17-,18+/m0/s1
InChIKeyAMPLWWIQEHRSHB-ZWKOTPCHSA-N
XLogP2.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol (CID 164676738) is (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@H]2c2cccc(C)c2)cc1.
What is the InChIKey of (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is AMPLWWIQEHRSHB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-6-8-16(9-7-13)23(21,22)19-11-10-17(20)18(19)15-5-3-4-14(2)12-15/h3-9,12,17-18,20H,10-11H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol?
(2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 331.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 164676738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).