2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C14H12F4N2O3S — CID 18194304

IUPAC2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCOc1c(F)c(F)c(S(=O)(=O)NC(C)c2cccnc2)c(F)c1F
InChIInChI=1S/C14H12F4N2O3S/c1-7(8-4-3-5-19-6-8)20-24(21,22)14-11(17)9(15)13(23-2)10(16)12(14)18/h3-7,20H,1-2H3
InChIKeyVRIDAWJKUDYXOU-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.69
Rot. Bonds5

About 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide

2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 18194304) has the molecular formula C14H12F4N2O3S and a molecular weight of 364.32 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID18194304
Molecular FormulaC14H12F4N2O3S
Molecular Weight364.32 g/mol
Exact Mass364.05
IUPAC Name2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCOc1c(F)c(F)c(S(=O)(=O)NC(C)c2cccnc2)c(F)c1F
InChIInChI=1S/C14H12F4N2O3S/c1-7(8-4-3-5-19-6-8)20-24(21,22)14-11(17)9(15)13(23-2)10(16)12(14)18/h3-7,20H,1-2H3
InChIKeyVRIDAWJKUDYXOU-UHFFFAOYSA-N
XLogP2.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 35312001
2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 18191910
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43397195
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 18194304) is 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide is COc1c(F)c(F)c(S(=O)(=O)NC(C)c2cccnc2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is VRIDAWJKUDYXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O3S/c1-7(8-4-3-5-19-6-8)20-24(21,22)14-11(17)9(15)13(23-2)10(16)12(14)18/h3-7,20H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 364.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 18194304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).