1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol

C10H11Cl2NO4S — CID 106672458

IUPAC1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C10H11Cl2NO4S/c11-6-1-2-7(12)10(3-6)18(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2
InChIKeyBCJOEHCJSPFPRV-UHFFFAOYSA-N
MW312.17 g/mol
LogP0.72
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol

1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 106672458) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID106672458
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Name1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C10H11Cl2NO4S/c11-6-1-2-7(12)10(3-6)18(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2
InChIKeyBCJOEHCJSPFPRV-UHFFFAOYSA-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

(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2,5-dichlorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105488
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 27182964
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol (CID 106672458) is 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol is O=S(=O)(c1cc(Cl)ccc1Cl)N1CC(O)C(O)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is BCJOEHCJSPFPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c11-6-1-2-7(12)10(3-6)18(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol?
1-(2,5-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 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106672458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).