(NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide

C19H13ClN2O2S3 — CID 6177119

IUPAC(NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
SMILESO=S(=O)(/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C19H13ClN2O2S3/c20-17-11-12-18(26-17)27(23,24)21-19-22(15-9-5-2-6-10-15)16(13-25-19)14-7-3-1-4-8-14/h1-13H/b21-19+
InChIKeyZPPMGBAVWCIJRE-XUTLUUPISA-N
MW432.98 g/mol
LogP5.21
Rot. Bonds4

About (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide

(NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 6177119) has the molecular formula C19H13ClN2O2S3 and a molecular weight of 432.98 g/mol. Its IUPAC name is (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID6177119
Molecular FormulaC19H13ClN2O2S3
Molecular Weight432.98 g/mol
Exact Mass431.98
IUPAC Name(NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
SMILESO=S(=O)(/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C19H13ClN2O2S3/c20-17-11-12-18(26-17)27(23,24)21-19-22(15-9-5-2-6-10-15)16(13-25-19)14-7-3-1-4-8-14/h1-13H/b21-19+
InChIKeyZPPMGBAVWCIJRE-XUTLUUPISA-N
XLogP5.21
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.98
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide (CID 6177119) is (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide is O=S(=O)(/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is ZPPMGBAVWCIJRE-XUTLUUPISA-N. The full InChI is InChI=1S/C19H13ClN2O2S3/c20-17-11-12-18(26-17)27(23,24)21-19-22(15-9-5-2-6-10-15)16(13-25-19)14-7-3-1-4-8-14/h1-13H/b21-19+.
What are the key properties of (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
(NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 432.98 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 6177119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).