(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol

C10H11Cl2NO4S — CID 79411225

IUPAC(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11Cl2NO4S/c11-6-1-7(12)3-8(2-6)18(16,17)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5H2/t9-,10+
InChIKeyGRGPZYYOGWIYJJ-AOOOYVTPSA-N
MW312.17 g/mol
LogP0.72
Rot. Bonds2

About (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol

(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 79411225) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID79411225
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Name(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11Cl2NO4S/c11-6-1-7(12)3-8(2-6)18(16,17)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5H2/t9-,10+
InChIKeyGRGPZYYOGWIYJJ-AOOOYVTPSA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dichlorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210665
(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 146532275
(3S,4S)-1-(3-chloro-5-fluorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 126840748
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585444
[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 131891133
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106670534

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol (CID 79411225) is (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is GRGPZYYOGWIYJJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c11-6-1-7(12)3-8(2-6)18(16,17)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5H2/t9-,10+.
What are the key properties of (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol?
(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 312.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 79411225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).