2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride

C10H10ClF2NO3S — CID 58086861

IUPAC2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cl)c1F
InChIInChI=1S/C10H10ClF2NO3S/c1-2-5-18(16,17)14-7-4-3-6(12)8(9(7)13)10(11)15/h3-4,14H,2,5H2,1H3
InChIKeyVISFLVDSLXMOOO-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.50
Rot. Bonds5

About 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride

2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride (PubChem CID 58086861) has the molecular formula C10H10ClF2NO3S and a molecular weight of 297.71 g/mol. Its IUPAC name is 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride.

Molecular Properties

Compound Name2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride
PubChem CID58086861
Molecular FormulaC10H10ClF2NO3S
Molecular Weight297.71 g/mol
Exact Mass297.00
IUPAC Name2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cl)c1F
InChIInChI=1S/C10H10ClF2NO3S/c1-2-5-18(16,17)14-7-4-3-6(12)8(9(7)13)10(11)15/h3-4,14H,2,5H2,1H3
InChIKeyVISFLVDSLXMOOO-UHFFFAOYSA-N
XLogP2.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride?
The IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride (CID 58086861) is 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride.
What is the SMILES notation for 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride?
The canonical SMILES for 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cl)c1F.
What is the InChIKey of 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride?
The InChIKey is VISFLVDSLXMOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3S/c1-2-5-18(16,17)14-7-4-3-6(12)8(9(7)13)10(11)15/h3-4,14H,2,5H2,1H3.
What are the key properties of 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride?
2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride has a molecular weight of 297.71 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride is sourced from PubChem (CID 58086861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).