CID 153359301

C10H11BFNO3S — CID 153359301

IUPAC—
SMILESCC.[B]c1cc2c(cc1F)C(=O)N(C)S2(=O)=O
InChIInChI=1S/C8H5BFNO3S.C2H6/c1-11-8(12)4-2-6(10)5(9)3-7(4)15(11,13)14;1-2/h2-3H,1H3;1-2H3
InChIKeyJVFBMGSHMIRLMJ-UHFFFAOYSA-N
MW255.08 g/mol
LogP0.42
Rot. Bonds

About CID 153359301

CID 153359301 (PubChem CID 153359301) has the molecular formula C10H11BFNO3S and a molecular weight of 255.08 g/mol.

Molecular Properties

Compound NameCID 153359301
PubChem CID153359301
Molecular FormulaC10H11BFNO3S
Molecular Weight255.08 g/mol
Exact Mass255.05
IUPAC Name—
SMILESCC.[B]c1cc2c(cc1F)C(=O)N(C)S2(=O)=O
InChIInChI=1S/C8H5BFNO3S.C2H6/c1-11-8(12)4-2-6(10)5(9)3-7(4)15(11,13)14;1-2/h2-3H,1H3;1-2H3
InChIKeyJVFBMGSHMIRLMJ-UHFFFAOYSA-N
XLogP0.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 153359301?
The IUPAC name of CID 153359301 (CID 153359301) is not available.
What is the SMILES notation for CID 153359301?
The canonical SMILES for CID 153359301 is CC.[B]c1cc2c(cc1F)C(=O)N(C)S2(=O)=O.
What is the InChIKey of CID 153359301?
The InChIKey is JVFBMGSHMIRLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BFNO3S.C2H6/c1-11-8(12)4-2-6(10)5(9)3-7(4)15(11,13)14;1-2/h2-3H,1H3;1-2H3.
What are the key properties of CID 153359301?
CID 153359301 has a molecular weight of 255.08 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153359301 is sourced from PubChem (CID 153359301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).