N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide

C17H15BrN2O2S2 — CID 1033384

IUPACN-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCCn1c(-c2ccc(Br)cc2)csc1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15BrN2O2S2/c1-2-20-16(13-8-10-14(18)11-9-13)12-23-17(20)19-24(21,22)15-6-4-3-5-7-15/h3-12H,2H2,1H3
InChIKeyRGLNRYLWXBNYLF-UHFFFAOYSA-N
MW423.36 g/mol
LogP4.29
Rot. Bonds4

About N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide

N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide (PubChem CID 1033384) has the molecular formula C17H15BrN2O2S2 and a molecular weight of 423.36 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide
PubChem CID1033384
Molecular FormulaC17H15BrN2O2S2
Molecular Weight423.36 g/mol
Exact Mass421.98
IUPAC NameN-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCCn1c(-c2ccc(Br)cc2)csc1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15BrN2O2S2/c1-2-20-16(13-8-10-14(18)11-9-13)12-23-17(20)19-24(21,22)15-6-4-3-5-7-15/h3-12H,2H2,1H3
InChIKeyRGLNRYLWXBNYLF-UHFFFAOYSA-N
XLogP4.29
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 54.29
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 N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The IUPAC name of N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide (CID 1033384) is N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The canonical SMILES for N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide is CCn1c(-c2ccc(Br)cc2)csc1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The InChIKey is RGLNRYLWXBNYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S2/c1-2-20-16(13-8-10-14(18)11-9-13)12-23-17(20)19-24(21,22)15-6-4-3-5-7-15/h3-12H,2H2,1H3.
What are the key properties of N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide has a molecular weight of 423.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 1033384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).