4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide

C20H18N2O2S — CID 54397689

IUPAC4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C=Cc2ccncc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-16-6-10-19(11-7-16)25(23,24)22-20-5-3-2-4-18(20)9-8-17-12-14-21-15-13-17/h2-15,22H,1H3
InChIKeyVLELCYOPKKJAGH-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.36
Rot. Bonds5

About 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide

4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide (PubChem CID 54397689) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide
PubChem CID54397689
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C=Cc2ccncc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-16-6-10-19(11-7-16)25(23,24)22-20-5-3-2-4-18(20)9-8-17-12-14-21-15-13-17/h2-15,22H,1H3
InChIKeyVLELCYOPKKJAGH-UHFFFAOYSA-N
XLogP4.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
CID 139895054
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
4-methyl-N-[2-[4-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]butyliminomethyl]phenyl]benzenesulfonamide
CID 101241244
N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 170920269
4-methyl-N-[2-[[4-[[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]methyl]phenyl]methyliminomethyl]phenyl]benzenesulfonamide
CID 102386798
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
CID 134959523
4-methoxy-N-[2-(2-pyrazin-2-ylethenyl)phenyl]benzenesulfonamide
CID 54445634
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728
N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide
CID 102344906
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide (CID 54397689) is 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C=Cc2ccncc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide?
The InChIKey is VLELCYOPKKJAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-16-6-10-19(11-7-16)25(23,24)22-20-5-3-2-4-18(20)9-8-17-12-14-21-15-13-17/h2-15,22H,1H3.
What are the key properties of 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 54397689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).