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

C15H15NO4S2 — CID 713221

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H15NO4S2/c1-21-12-3-5-13(6-4-12)22(17,18)16-11-2-7-14-15(10-11)20-9-8-19-14/h2-7,10,16H,8-9H2,1H3
InChIKeyRUXUHNCBMKUZON-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.98
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 713221) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide
PubChem CID713221
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H15NO4S2/c1-21-12-3-5-13(6-4-12)22(17,18)16-11-2-7-14-15(10-11)20-9-8-19-14/h2-7,10,16H,8-9H2,1H3
InChIKeyRUXUHNCBMKUZON-UHFFFAOYSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide (CID 713221) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is RUXUHNCBMKUZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-21-12-3-5-13(6-4-12)22(17,18)16-11-2-7-14-15(10-11)20-9-8-19-14/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 713221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).