3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C18H15N3O2S2 — CID 35395974

IUPAC3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-2-13-6-8-15(9-7-13)17-12-24-18(20-17)21-25(22,23)16-5-3-4-14(10-16)11-19/h3-10,12H,2H2,1H3,(H,20,21)
InChIKeyWNVSWAFFPISKIP-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.04
Rot. Bonds5

About 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 35395974) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID35395974
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-2-13-6-8-15(9-7-13)17-12-24-18(20-17)21-25(22,23)16-5-3-4-14(10-16)11-19/h3-10,12H,2H2,1H3,(H,20,21)
InChIKeyWNVSWAFFPISKIP-UHFFFAOYSA-N
XLogP4.04
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 35395974) is 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)cc1.
What is the InChIKey of 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is WNVSWAFFPISKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-2-13-6-8-15(9-7-13)17-12-24-18(20-17)21-25(22,23)16-5-3-4-14(10-16)11-19/h3-10,12H,2H2,1H3,(H,20,21).
What are the key properties of 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 369.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 35395974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).