CID 175926040

C5H2ClF2NNaO2S — CID 175926040

IUPAC—
SMILESO=C(Oc1csc(Cl)n1)C(F)F.[Na]
InChIInChI=1S/C5H2ClF2NO2S.Na/c6-5-9-2(1-12-5)11-4(10)3(7)8;/h1,3H;
InChIKeyMPXSUSXPYMLGJY-UHFFFAOYSA-N
MW236.58 g/mol
LogP1.59
Rot. Bonds2

About CID 175926040

CID 175926040 (PubChem CID 175926040) has the molecular formula C5H2ClF2NNaO2S and a molecular weight of 236.58 g/mol.

Molecular Properties

Compound NameCID 175926040
PubChem CID175926040
Molecular FormulaC5H2ClF2NNaO2S
Molecular Weight236.58 g/mol
Exact Mass235.94
IUPAC Name—
SMILESO=C(Oc1csc(Cl)n1)C(F)F.[Na]
InChIInChI=1S/C5H2ClF2NO2S.Na/c6-5-9-2(1-12-5)11-4(10)3(7)8;/h1,3H;
InChIKeyMPXSUSXPYMLGJY-UHFFFAOYSA-N
XLogP1.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.58
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 175926040?
The IUPAC name of CID 175926040 (CID 175926040) is not available.
What is the SMILES notation for CID 175926040?
The canonical SMILES for CID 175926040 is O=C(Oc1csc(Cl)n1)C(F)F.[Na].
What is the InChIKey of CID 175926040?
The InChIKey is MPXSUSXPYMLGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF2NO2S.Na/c6-5-9-2(1-12-5)11-4(10)3(7)8;/h1,3H;.
What are the key properties of CID 175926040?
CID 175926040 has a molecular weight of 236.58 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175926040 is sourced from PubChem (CID 175926040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).