[(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol

C23H21Cl2NO3S — CID 100992317

IUPAC[(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21Cl2NO3S/c24-19-13-14-20(25)21(16-19)30(28,29)26-15-7-12-22(26)23(27,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,16,22,27H,7,12,15H2/t22-/m0/s1
InChIKeyFWGSVNMCOGSPSY-QFIPXVFZSA-N
MW462.40 g/mol
LogP5.08
Rot. Bonds5

About [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol

[(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol (PubChem CID 100992317) has the molecular formula C23H21Cl2NO3S and a molecular weight of 462.40 g/mol. Its IUPAC name is [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol
PubChem CID100992317
Molecular FormulaC23H21Cl2NO3S
Molecular Weight462.40 g/mol
Exact Mass461.06
IUPAC Name[(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21Cl2NO3S/c24-19-13-14-20(25)21(16-19)30(28,29)26-15-7-12-22(26)23(27,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,16,22,27H,7,12,15H2/t22-/m0/s1
InChIKeyFWGSVNMCOGSPSY-QFIPXVFZSA-N
XLogP5.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372074
(2R,3R)-1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105470
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702705
4-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 54898052
2-(3-bromopropyl)-1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 80674869
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine
CID 2859681

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol (CID 100992317) is [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol?
The InChIKey is FWGSVNMCOGSPSY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21Cl2NO3S/c24-19-13-14-20(25)21(16-19)30(28,29)26-15-7-12-22(26)23(27,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,16,22,27H,7,12,15H2/t22-/m0/s1.
What are the key properties of [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol?
[(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol has a molecular weight of 462.40 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol is sourced from PubChem (CID 100992317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).