4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

C11H12N2O3S2 — CID 868642

IUPAC4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C11H12N2O3S2/c1-2-16-9-3-5-10(6-4-9)18(14,15)13-11-12-7-8-17-11/h3-8H,2H2,1H3,(H,12,13)
InChIKeyLJRWYBKMOOXJSD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.34
Rot. Bonds5

About 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 868642) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID868642
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C11H12N2O3S2/c1-2-16-9-3-5-10(6-4-9)18(14,15)13-11-12-7-8-17-11/h3-8H,2H2,1H3,(H,12,13)
InChIKeyLJRWYBKMOOXJSD-UHFFFAOYSA-N
XLogP2.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 868642) is 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LJRWYBKMOOXJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-2-16-9-3-5-10(6-4-9)18(14,15)13-11-12-7-8-17-11/h3-8H,2H2,1H3,(H,12,13).
What are the key properties of 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 868642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).