(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol

C18H21NO3S — CID 11659970

IUPAC(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(19)18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18,20H,5,8,13H2,1H3/t17-,18+/m0/s1
InChIKeyGIKOWNDCULNALO-ZWKOTPCHSA-N
MW331.44 g/mol
LogP2.88
Rot. Bonds4

About (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol

(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol (PubChem CID 11659970) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
PubChem CID11659970
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(19)18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18,20H,5,8,13H2,1H3/t17-,18+/m0/s1
InChIKeyGIKOWNDCULNALO-ZWKOTPCHSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
2-[methoxy(phenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101498741
[(S)-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethyl] 2,2,2-trifluoroacetate
CID 101497880
(2S)-2-[(1S)-1-iodoethyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101191700
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
CID 102373671
methyl (2S)-3-hydroxy-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 69463191
(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide
CID 132918406
(1S)-1-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-nitroethanol
CID 101201550
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
dimethyl-[(1R)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1-phenylethyl]azanium
CID 9284558

Frequently Asked Questions

What is the IUPAC name of (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol (CID 11659970) is (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol is Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol?
The InChIKey is GIKOWNDCULNALO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(19)18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18,20H,5,8,13H2,1H3/t17-,18+/m0/s1.
What are the key properties of (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol?
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol has a molecular weight of 331.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol is sourced from PubChem (CID 11659970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).