4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide

C12H9Cl2NO4S2 — CID 6736979

IUPAC4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C12H9Cl2NO4S2/c13-8-6-11(20-12(8)14)21(16,17)15-7-1-2-9-10(5-7)19-4-3-18-9/h1-2,5-6,15H,3-4H2
InChIKeyVYIXEUMTXOKHMP-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.63
Rot. Bonds3

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

4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide (PubChem CID 6736979) has the molecular formula C12H9Cl2NO4S2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
PubChem CID6736979
Molecular FormulaC12H9Cl2NO4S2
Molecular Weight366.25 g/mol
Exact Mass364.94
IUPAC Name4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C12H9Cl2NO4S2/c13-8-6-11(20-12(8)14)21(16,17)15-7-1-2-9-10(5-7)19-4-3-18-9/h1-2,5-6,15H,3-4H2
InChIKeyVYIXEUMTXOKHMP-UHFFFAOYSA-N
XLogP3.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The IUPAC name of 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide (CID 6736979) is 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The InChIKey is VYIXEUMTXOKHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4S2/c13-8-6-11(20-12(8)14)21(16,17)15-7-1-2-9-10(5-7)19-4-3-18-9/h1-2,5-6,15H,3-4H2.
What are the key properties of 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide has a molecular weight of 366.25 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 6736979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).