2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide

C10HF14NO4S2 — CID 88939934

IUPAC2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10HF14NO4S2/c11-1-2(12)4(14)6(5(15)3(1)13)30(26,27)25-31(28,29)10(23,24)8(18,19)7(16,17)9(20,21)22/h25H
InChIKeyPMCNMNQMEXDWMH-UHFFFAOYSA-N
MW529.23 g/mol
LogP3.42
Rot. Bonds6

About 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide

2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide (PubChem CID 88939934) has the molecular formula C10HF14NO4S2 and a molecular weight of 529.23 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide
PubChem CID88939934
Molecular FormulaC10HF14NO4S2
Molecular Weight529.23 g/mol
Exact Mass528.91
IUPAC Name2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10HF14NO4S2/c11-1-2(12)4(14)6(5(15)3(1)13)30(26,27)25-31(28,29)10(23,24)8(18,19)7(16,17)9(20,21)22/h25H
InChIKeyPMCNMNQMEXDWMH-UHFFFAOYSA-N
XLogP3.42
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride
CID 173065496
lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide
CID 173199731
N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 167364853
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonohydrazide
CID 155317025
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
CID 152575055
1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide
CID 167233099
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzenesulfonic acid
CID 139920698
potassium 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzenesulfonate
CID 141230624
N-cyano-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 100975647
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide
CID 167079782

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide (CID 88939934) is 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide?
The InChIKey is PMCNMNQMEXDWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF14NO4S2/c11-1-2(12)4(14)6(5(15)3(1)13)30(26,27)25-31(28,29)10(23,24)8(18,19)7(16,17)9(20,21)22/h25H.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide has a molecular weight of 529.23 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 88939934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).