N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide

C20H17FN2O4S2 — CID 68878253

IUPACN-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O4S2/c1-28(24,25)23-19-3-2-14-22-20(19)29(26,27)18-12-8-16(9-13-18)5-4-15-6-10-17(21)11-7-15/h2-14,23H,1H3
InChIKeyOBZBMIDCXWCYPZ-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.60
Rot. Bonds6

About N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide

N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide (PubChem CID 68878253) has the molecular formula C20H17FN2O4S2 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide
PubChem CID68878253
Molecular FormulaC20H17FN2O4S2
Molecular Weight432.50 g/mol
Exact Mass432.06
IUPAC NameN-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O4S2/c1-28(24,25)23-19-3-2-14-22-20(19)29(26,27)18-12-8-16(9-13-18)5-4-15-6-10-17(21)11-7-15/h2-14,23H,1H3
InChIKeyOBZBMIDCXWCYPZ-UHFFFAOYSA-N
XLogP3.60
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide (CID 68878253) is N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide?
The InChIKey is OBZBMIDCXWCYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S2/c1-28(24,25)23-19-3-2-14-22-20(19)29(26,27)18-12-8-16(9-13-18)5-4-15-6-10-17(21)11-7-15/h2-14,23H,1H3.
What are the key properties of N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide?
N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide has a molecular weight of 432.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 68878253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).