4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol

C10H11ClO5S2 — CID 2740374

IUPAC4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H11ClO5S2/c11-7-1-3-8(4-2-7)18(15,16)10-6-17(13,14)5-9(10)12/h1-4,9-10,12H,5-6H2
InChIKeyVIPUHMWJPZSJME-UHFFFAOYSA-N
MW310.78 g/mol
LogP0.27
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol

4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol (PubChem CID 2740374) has the molecular formula C10H11ClO5S2 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol
PubChem CID2740374
Molecular FormulaC10H11ClO5S2
Molecular Weight310.78 g/mol
Exact Mass309.97
IUPAC Name4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H11ClO5S2/c11-7-1-3-8(4-2-7)18(15,16)10-6-17(13,14)5-9(10)12/h1-4,9-10,12H,5-6H2
InChIKeyVIPUHMWJPZSJME-UHFFFAOYSA-N
XLogP0.27
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol (CID 2740374) is 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol?
The InChIKey is VIPUHMWJPZSJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5S2/c11-7-1-3-8(4-2-7)18(15,16)10-6-17(13,14)5-9(10)12/h1-4,9-10,12H,5-6H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol?
4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol has a molecular weight of 310.78 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 2740374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).