N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide

C19H17NO4S — CID 5041879

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1COc2ccccc2O1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO4S/c21-25(22,17-10-9-14-5-1-2-6-15(14)11-17)20-12-16-13-23-18-7-3-4-8-19(18)24-16/h1-11,16,20H,12-13H2
InChIKeyRLBHWRZKJFAWMD-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.96
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 5041879) has the molecular formula C19H17NO4S and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide
PubChem CID5041879
Molecular FormulaC19H17NO4S
Molecular Weight355.41 g/mol
Exact Mass355.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1COc2ccccc2O1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO4S/c21-25(22,17-10-9-14-5-1-2-6-15(14)11-17)20-12-16-13-23-18-7-3-4-8-19(18)24-16/h1-11,16,20H,12-13H2
InChIKeyRLBHWRZKJFAWMD-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide (CID 5041879) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide is O=S(=O)(NCC1COc2ccccc2O1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is RLBHWRZKJFAWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-25(22,17-10-9-14-5-1-2-6-15(14)11-17)20-12-16-13-23-18-7-3-4-8-19(18)24-16/h1-11,16,20H,12-13H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide has a molecular weight of 355.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 5041879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).