N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide

C24H20N2O2S2 — CID 72581893

IUPACN-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
SMILESC=CCn1c(-c2ccccc2)c(-c2ccccc2)sc1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H20N2O2S2/c1-2-18-26-22(19-12-6-3-7-13-19)23(20-14-8-4-9-15-20)29-24(26)25-30(27,28)21-16-10-5-11-17-21/h2-17H,1,18H2
InChIKeyDIGJBMKIMZNEJS-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.36
Rot. Bonds6

About N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide

N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide (PubChem CID 72581893) has the molecular formula C24H20N2O2S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
PubChem CID72581893
Molecular FormulaC24H20N2O2S2
Molecular Weight432.57 g/mol
Exact Mass432.10
IUPAC NameN-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
SMILESC=CCn1c(-c2ccccc2)c(-c2ccccc2)sc1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H20N2O2S2/c1-2-18-26-22(19-12-6-3-7-13-19)23(20-14-8-4-9-15-20)29-24(26)25-30(27,28)21-16-10-5-11-17-21/h2-17H,1,18H2
InChIKeyDIGJBMKIMZNEJS-UHFFFAOYSA-N
XLogP5.36
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide (CID 72581893) is N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide is C=CCn1c(-c2ccccc2)c(-c2ccccc2)sc1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide?
The InChIKey is DIGJBMKIMZNEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S2/c1-2-18-26-22(19-12-6-3-7-13-19)23(20-14-8-4-9-15-20)29-24(26)25-30(27,28)21-16-10-5-11-17-21/h2-17H,1,18H2.
What are the key properties of N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide?
N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide has a molecular weight of 432.57 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 72581893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).