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

C24H25NO3S — CID 6547133

IUPAC[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-19-14-16-22(17-15-19)29(27,28)25-18-8-13-23(25)24(26,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,23,26H,8,13,18H2,1H3/t23-/m0/s1
InChIKeyQEBCJAJTFOBEFC-QHCPKHFHSA-N
MW407.54 g/mol
LogP4.08
Rot. Bonds5

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

[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol (PubChem CID 6547133) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol
PubChem CID6547133
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-19-14-16-22(17-15-19)29(27,28)25-18-8-13-23(25)24(26,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,23,26H,8,13,18H2,1H3/t23-/m0/s1
InChIKeyQEBCJAJTFOBEFC-QHCPKHFHSA-N
XLogP4.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol (CID 6547133) is [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol?
The InChIKey is QEBCJAJTFOBEFC-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-19-14-16-22(17-15-19)29(27,28)25-18-8-13-23(25)24(26,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,23,26H,8,13,18H2,1H3/t23-/m0/s1.
What are the key properties of [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol?
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol has a molecular weight of 407.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol is sourced from PubChem (CID 6547133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).