2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

C14H11Cl2NO4S — CID 1281368

IUPAC2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c15-10-2-1-3-11(16)14(10)22(18,19)17-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2
InChIKeySLUKDRSEUOPYLT-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.57
Rot. Bonds3

About 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (PubChem CID 1281368) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
PubChem CID1281368
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c15-10-2-1-3-11(16)14(10)22(18,19)17-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2
InChIKeySLUKDRSEUOPYLT-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (CID 1281368) is 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The InChIKey is SLUKDRSEUOPYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c15-10-2-1-3-11(16)14(10)22(18,19)17-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2.
What are the key properties of 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide has a molecular weight of 360.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is sourced from PubChem (CID 1281368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).