2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide

C11H9ClN2O4S2 — CID 43427430

IUPAC2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc(Cl)s1
InChIInChI=1S/C11H9ClN2O4S2/c12-11-13-6-10(19-11)20(15,16)14-7-1-2-8-9(5-7)18-4-3-17-8/h1-2,5-6,14H,3-4H2
InChIKeyKTSLJPZNNKSHJH-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 43427430) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide
PubChem CID43427430
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc(Cl)s1
InChIInChI=1S/C11H9ClN2O4S2/c12-11-13-6-10(19-11)20(15,16)14-7-1-2-8-9(5-7)18-4-3-17-8/h1-2,5-6,14H,3-4H2
InChIKeyKTSLJPZNNKSHJH-UHFFFAOYSA-N
XLogP2.37
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide (CID 43427430) is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is KTSLJPZNNKSHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c12-11-13-6-10(19-11)20(15,16)14-7-1-2-8-9(5-7)18-4-3-17-8/h1-2,5-6,14H,3-4H2.
What are the key properties of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 332.79 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43427430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).