[2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate

C21H19NO4S — CID 19100004

IUPAC[2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate
SMILESCc1cc(C=C(c2ccccc2)c2ccccc2)n(OS(C)(=O)=O)c(=O)c1
InChIInChI=1S/C21H19NO4S/c1-16-13-19(22(21(23)14-16)26-27(2,24)25)15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyGVDUJMWIYZVTQI-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.13
Rot. Bonds5

About [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate

[2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate (PubChem CID 19100004) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate.

Molecular Properties

Compound Name[2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate
PubChem CID19100004
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name[2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate
SMILESCc1cc(C=C(c2ccccc2)c2ccccc2)n(OS(C)(=O)=O)c(=O)c1
InChIInChI=1S/C21H19NO4S/c1-16-13-19(22(21(23)14-16)26-27(2,24)25)15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyGVDUJMWIYZVTQI-UHFFFAOYSA-N
XLogP3.13
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-methyl-2-oxo-6-[(E)-2-phenylethenyl]-1-pyridinyl] butane-1,4-disulfonate
CID 19099948
(4-methyl-2-naphthalen-1-yl-6-oxo-1-pyridinyl) methanesulfonate
CID 57263042
[2-(2-anthracen-9-ylethenyl)-4-methyl-6-oxo-1-pyridinyl] 4-methylbenzenesulfonate
CID 54306514
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
2,7-bis(2,2-diphenylethenyl)fluoren-9-one
CID 86012189
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002
1-(2,2-diphenylethenyl)-5-methyl-2,1-benzothiazol-3-one
CID 101462238
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate?
The IUPAC name of [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate (CID 19100004) is [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate.
What is the SMILES notation for [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate?
The canonical SMILES for [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate is Cc1cc(C=C(c2ccccc2)c2ccccc2)n(OS(C)(=O)=O)c(=O)c1.
What is the InChIKey of [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate?
The InChIKey is GVDUJMWIYZVTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-16-13-19(22(21(23)14-16)26-27(2,24)25)15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3.
What are the key properties of [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate?
[2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate has a molecular weight of 381.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate is sourced from PubChem (CID 19100004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).