2,3,4,5,6-pentafluorobenzenesulfinamide

C6H2F5NOS — CID 12530523

IUPAC2,3,4,5,6-pentafluorobenzenesulfinamide
SMILESNS(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NOS/c7-1-2(8)4(10)6(14(12)13)5(11)3(1)9/h12H2
InChIKeyYXJWSAWSNFCUAR-UHFFFAOYSA-N
MW231.14 g/mol
LogP1.36
Rot. Bonds1

About 2,3,4,5,6-pentafluorobenzenesulfinamide

2,3,4,5,6-pentafluorobenzenesulfinamide (PubChem CID 12530523) has the molecular formula C6H2F5NOS and a molecular weight of 231.14 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorobenzenesulfinamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorobenzenesulfinamide
PubChem CID12530523
Molecular FormulaC6H2F5NOS
Molecular Weight231.14 g/mol
Exact Mass230.98
IUPAC Name2,3,4,5,6-pentafluorobenzenesulfinamide
SMILESNS(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NOS/c7-1-2(8)4(10)6(14(12)13)5(11)3(1)9/h12H2
InChIKeyYXJWSAWSNFCUAR-UHFFFAOYSA-N
XLogP1.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfinamide?
The IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfinamide (CID 12530523) is 2,3,4,5,6-pentafluorobenzenesulfinamide.
What is the SMILES notation for 2,3,4,5,6-pentafluorobenzenesulfinamide?
The canonical SMILES for 2,3,4,5,6-pentafluorobenzenesulfinamide is NS(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluorobenzenesulfinamide?
The InChIKey is YXJWSAWSNFCUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NOS/c7-1-2(8)4(10)6(14(12)13)5(11)3(1)9/h12H2.
What are the key properties of 2,3,4,5,6-pentafluorobenzenesulfinamide?
2,3,4,5,6-pentafluorobenzenesulfinamide has a molecular weight of 231.14 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorobenzenesulfinamide is sourced from PubChem (CID 12530523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).