4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C14H14N2O2S — CID 19423365

IUPAC4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C14H14N2O2S/c1-3-12-6-8-13(9-7-12)19(17,18)16-14-11(2)5-4-10-15-14/h3-10H,1H2,2H3,(H,15,16)
InChIKeyGJURZUDJCCSXDC-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.83
Rot. Bonds4

About 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide

4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 19423365) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID19423365
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C14H14N2O2S/c1-3-12-6-8-13(9-7-12)19(17,18)16-14-11(2)5-4-10-15-14/h3-10H,1H2,2H3,(H,15,16)
InChIKeyGJURZUDJCCSXDC-UHFFFAOYSA-N
XLogP2.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 19423365) is 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide is C=Cc1ccc(S(=O)(=O)Nc2ncccc2C)cc1.
What is the InChIKey of 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is GJURZUDJCCSXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-12-6-8-13(9-7-12)19(17,18)16-14-11(2)5-4-10-15-14/h3-10H,1H2,2H3,(H,15,16).
What are the key properties of 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 19423365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).