sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide

C14H10F2NNaO3S — CID 23663555

IUPACsodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide
SMILESO=C(c1ccccc1)c1cccc([N-]S(=O)(=O)C(F)F)c1.[Na+]
InChIInChI=1S/C14H10F2NO3S.Na/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10;/h1-9,14H;/q-1;+1
InChIKeyHVBBVDWXAWJQSV-UHFFFAOYSA-N
MW333.29 g/mol
LogP0.48
Rot. Bonds5

About sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide

sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide (PubChem CID 23663555) has the molecular formula C14H10F2NNaO3S and a molecular weight of 333.29 g/mol. Its IUPAC name is sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namesodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide
PubChem CID23663555
Molecular FormulaC14H10F2NNaO3S
Molecular Weight333.29 g/mol
Exact Mass333.02
IUPAC Namesodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide
SMILESO=C(c1ccccc1)c1cccc([N-]S(=O)(=O)C(F)F)c1.[Na+]
InChIInChI=1S/C14H10F2NO3S.Na/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10;/h1-9,14H;/q-1;+1
InChIKeyHVBBVDWXAWJQSV-UHFFFAOYSA-N
XLogP0.48
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide?
The IUPAC name of sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide (CID 23663555) is sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide.
What is the SMILES notation for sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide?
The canonical SMILES for sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide is O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)C(F)F)c1.[Na+].
What is the InChIKey of sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide?
The InChIKey is HVBBVDWXAWJQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2NO3S.Na/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10;/h1-9,14H;/q-1;+1.
What are the key properties of sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide?
sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide has a molecular weight of 333.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3-benzoylphenyl)-(difluoromethylsulfonyl)azanide is sourced from PubChem (CID 23663555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).