benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide

C12H5F5NO4S2- — CID 144769244

IUPACbenzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide
SMILESO=S(=O)([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C12H5F5NO4S2/c13-7-8(14)10(16)12(11(17)9(7)15)24(21,22)18-23(19,20)6-4-2-1-3-5-6/h1-5H/q-1
InChIKeyMJJRVSVVBPMRSL-UHFFFAOYSA-N
MW386.30 g/mol
LogP2.83
Rot. Bonds4

About benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide

benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide (PubChem CID 144769244) has the molecular formula C12H5F5NO4S2- and a molecular weight of 386.30 g/mol. Its IUPAC name is benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide.

Molecular Properties

Compound Namebenzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide
PubChem CID144769244
Molecular FormulaC12H5F5NO4S2-
Molecular Weight386.30 g/mol
Exact Mass385.96
IUPAC Namebenzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide
SMILESO=S(=O)([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C12H5F5NO4S2/c13-7-8(14)10(16)12(11(17)9(7)15)24(21,22)18-23(19,20)6-4-2-1-3-5-6/h1-5H/q-1
InChIKeyMJJRVSVVBPMRSL-UHFFFAOYSA-N
XLogP2.83
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
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'}

Analyze benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide 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

potassium benzenesulfonyl-(4-ethenylphenyl)sulfonylazanide
CID 101224201
difluoromethylsulfonylbenzene
CID 21069574
benzenesulfonyl-[2,4-bis(ethenyl)phenyl]sulfonylazanide
CID 171422362
sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide
CID 22027089
[phenyl-bis[4-(trifluoromethyl)phenyl]-λ4-sulfanyl] 2,3,4,5,6-pentafluorobenzenesulfonate
CID 87483034
[(4-tert-butylphenyl)-diphenyl-λ4-sulfanyl]-(2,3,4,5,6-pentafluorophenyl)sulfonyloxidanium
CID 91006333
[(2-methylphenyl)-diphenyl-λ4-sulfanyl] 2,3,4,5,6-pentafluorobenzenesulfonate
CID 87484191
[(4-methylsulfanylphenyl)-diphenyl-λ4-sulfanyl] 2,3,4,5,6-pentafluorobenzenesulfonate
CID 140512560
benzenesulfonylbenzene;formonitrile
CID 174749173
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride
CID 78076214
[(1R,2R)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene
CID 71310796

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide?
The IUPAC name of benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide (CID 144769244) is benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide.
What is the SMILES notation for benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide?
The canonical SMILES for benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide is O=S(=O)([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide?
The InChIKey is MJJRVSVVBPMRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5NO4S2/c13-7-8(14)10(16)12(11(17)9(7)15)24(21,22)18-23(19,20)6-4-2-1-3-5-6/h1-5H/q-1.
What are the key properties of benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide?
benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide has a molecular weight of 386.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide is sourced from PubChem (CID 144769244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).