5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide

C12H11ClN2O3S2 — CID 75520545

IUPAC5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(NCc1cscn1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C12H11ClN2O3S2/c13-9-3-8-1-2-18-12(8)11(4-9)20(16,17)15-5-10-6-19-7-14-10/h3-4,6-7,15H,1-2,5H2
InChIKeyOCVGZMCOPHYZBX-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.21
Rot. Bonds4

About 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide

5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 75520545) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID75520545
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Name5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(NCc1cscn1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C12H11ClN2O3S2/c13-9-3-8-1-2-18-12(8)11(4-9)20(16,17)15-5-10-6-19-7-14-10/h3-4,6-7,15H,1-2,5H2
InChIKeyOCVGZMCOPHYZBX-UHFFFAOYSA-N
XLogP2.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 75520545) is 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide is O=S(=O)(NCc1cscn1)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is OCVGZMCOPHYZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c13-9-3-8-1-2-18-12(8)11(4-9)20(16,17)15-5-10-6-19-7-14-10/h3-4,6-7,15H,1-2,5H2.
What are the key properties of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 330.82 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 75520545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).