N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C12H17NO4S — CID 2889243

IUPACN-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO4S/c1-9(2)8-13-18(14,15)10-3-4-11-12(7-10)17-6-5-16-11/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyDLFGWSRJLVRSDQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.39
Rot. Bonds4

About N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2889243) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2889243
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO4S/c1-9(2)8-13-18(14,15)10-3-4-11-12(7-10)17-6-5-16-11/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyDLFGWSRJLVRSDQ-UHFFFAOYSA-N
XLogP1.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2889243) is N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CC(C)CNS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is DLFGWSRJLVRSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9(2)8-13-18(14,15)10-3-4-11-12(7-10)17-6-5-16-11/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2889243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).