2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide

C12H7F5N2O2S — CID 59089922

IUPAC2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cn1
InChIInChI=1S/C12H7F5N2O2S/c1-5-2-3-6(4-18-5)19-22(20,21)12-10(16)8(14)7(13)9(15)11(12)17/h2-4,19H,1H3
InChIKeyBUDYETFBSWIVJC-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.89
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide

2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 59089922) has the molecular formula C12H7F5N2O2S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID59089922
Molecular FormulaC12H7F5N2O2S
Molecular Weight338.26 g/mol
Exact Mass338.01
IUPAC Name2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cn1
InChIInChI=1S/C12H7F5N2O2S/c1-5-2-3-6(4-18-5)19-22(20,21)12-10(16)8(14)7(13)9(15)11(12)17/h2-4,19H,1H3
InChIKeyBUDYETFBSWIVJC-UHFFFAOYSA-N
XLogP2.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide (CID 59089922) is 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cn1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is BUDYETFBSWIVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2O2S/c1-5-2-3-6(4-18-5)19-22(20,21)12-10(16)8(14)7(13)9(15)11(12)17/h2-4,19H,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 59089922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).