N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide

C17H13N3O3S3 — CID 24598704

IUPACN-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1coc(-c2cccs2)n1)c1nccs1
InChIInChI=1S/C17H13N3O3S3/c21-26(22,14-5-2-1-3-6-14)20(17-18-8-10-25-17)11-13-12-23-16(19-13)15-7-4-9-24-15/h1-10,12H,11H2
InChIKeySWLGJFRSWASEIH-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.26
Rot. Bonds6

About N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide

N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 24598704) has the molecular formula C17H13N3O3S3 and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID24598704
Molecular FormulaC17H13N3O3S3
Molecular Weight403.51 g/mol
Exact Mass403.01
IUPAC NameN-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1coc(-c2cccs2)n1)c1nccs1
InChIInChI=1S/C17H13N3O3S3/c21-26(22,14-5-2-1-3-6-14)20(17-18-8-10-25-17)11-13-12-23-16(19-13)15-7-4-9-24-15/h1-10,12H,11H2
InChIKeySWLGJFRSWASEIH-UHFFFAOYSA-N
XLogP4.26
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 24598704) is N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1coc(-c2cccs2)n1)c1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is SWLGJFRSWASEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S3/c21-26(22,14-5-2-1-3-6-14)20(17-18-8-10-25-17)11-13-12-23-16(19-13)15-7-4-9-24-15/h1-10,12H,11H2.
What are the key properties of N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 24598704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).