N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide

C13H8F5NO2S — CID 17374357

IUPACN-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H8F5NO2S/c14-8-9(15)11(17)13(12(18)10(8)16)19-22(20,21)6-7-4-2-1-3-5-7/h1-5,19H,6H2
InChIKeyQHQXJFGEWLNGQA-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.32
Rot. Bonds4

About N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide

N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide (PubChem CID 17374357) has the molecular formula C13H8F5NO2S and a molecular weight of 337.27 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
PubChem CID17374357
Molecular FormulaC13H8F5NO2S
Molecular Weight337.27 g/mol
Exact Mass337.02
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H8F5NO2S/c14-8-9(15)11(17)13(12(18)10(8)16)19-22(20,21)6-7-4-2-1-3-5-7/h1-5,19H,6H2
InChIKeyQHQXJFGEWLNGQA-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide
CID 69009630
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
CID 3761631
N-iodo-1-phenylmethanesulfonamide
CID 88874569
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide
CID 43550604
N-(methylideneamino)-1-phenylmethanesulfonamide
CID 141191936
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122303319
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
N-(2-benzylphenyl)-1-phenylmethanesulfonamide
CID 8514129

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide (CID 17374357) is N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide?
The InChIKey is QHQXJFGEWLNGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO2S/c14-8-9(15)11(17)13(12(18)10(8)16)19-22(20,21)6-7-4-2-1-3-5-7/h1-5,19H,6H2.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide?
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 17374357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).