(NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide

C18H18N2O2S2 — CID 118709486

IUPAC(NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCc1ccc(-c2cs/c(=N\S(=O)(=O)c3ccccc3)n2C)c(C)c1
InChIInChI=1S/C18H18N2O2S2/c1-13-9-10-16(14(2)11-13)17-12-23-18(20(17)3)19-24(21,22)15-7-5-4-6-8-15/h4-12H,1-3H3/b19-18-
InChIKeyDKFRLOHBJRSAAT-HNENSFHCSA-N
MW358.49 g/mol
LogP3.66
Rot. Bonds3

About (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide

(NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide (PubChem CID 118709486) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
PubChem CID118709486
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name(NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCc1ccc(-c2cs/c(=N\S(=O)(=O)c3ccccc3)n2C)c(C)c1
InChIInChI=1S/C18H18N2O2S2/c1-13-9-10-16(14(2)11-13)17-12-23-18(20(17)3)19-24(21,22)15-7-5-4-6-8-15/h4-12H,1-3H3/b19-18-
InChIKeyDKFRLOHBJRSAAT-HNENSFHCSA-N
XLogP3.66
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide (CID 118709486) is (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide is Cc1ccc(-c2cs/c(=N\S(=O)(=O)c3ccccc3)n2C)c(C)c1.
What is the InChIKey of (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The InChIKey is DKFRLOHBJRSAAT-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-13-9-10-16(14(2)11-13)17-12-23-18(20(17)3)19-24(21,22)15-7-5-4-6-8-15/h4-12H,1-3H3/b19-18-.
What are the key properties of (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
(NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 118709486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).