(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile

C10H9NO2S — CID 6604905

IUPAC(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
SMILESCc1ccc(S(=O)(=O)/C=C\C#N)cc1
InChIInChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2-
InChIKeyDOEWDSDBFRHVAP-WAPJZHGLSA-N
MW207.25 g/mol
LogP1.81
Rot. Bonds2

About (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile

(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile (PubChem CID 6604905) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
PubChem CID6604905
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
SMILESCc1ccc(S(=O)(=O)/C=C\C#N)cc1
InChIInChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2-
InChIKeyDOEWDSDBFRHVAP-WAPJZHGLSA-N
XLogP1.81
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile 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

(Z)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
CID 6603741
1-methyl-4-[(E)-pent-1-en-3-ynyl]sulfonylbenzene
CID 13012826
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
CID 13418310
2-(4-methylphenyl)sulfonylethenone
CID 54505790
ethyl (E)-3-(4-methylphenyl)sulfonylprop-2-enoate
CID 11230550
1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene
CID 100976770
1-[(E)-hex-1-enyl]sulfonyl-4-methylbenzene
CID 12556455
acetonitrile;4-methylbenzenesulfonamide
CID 67578872
[(E)-2-cyano-1-(4-methylphenyl)ethenyl] 4-methylbenzenesulfonate
CID 11483807
antimony(3+);tris(4-methylbenzenesulfonate)
CID 86736930
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile (CID 6604905) is (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile is Cc1ccc(S(=O)(=O)/C=C\C#N)cc1.
What is the InChIKey of (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
The InChIKey is DOEWDSDBFRHVAP-WAPJZHGLSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2-.
What are the key properties of (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile has a molecular weight of 207.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile is sourced from PubChem (CID 6604905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).