N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide

C16H17NO5S — CID 2219508

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO5S/c1-11-3-5-14(20-2)16(9-11)23(18,19)17-12-4-6-13-15(10-12)22-8-7-21-13/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyOZAZERQHZDQLSD-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.58
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 2219508) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID2219508
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO5S/c1-11-3-5-14(20-2)16(9-11)23(18,19)17-12-4-6-13-15(10-12)22-8-7-21-13/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyOZAZERQHZDQLSD-UHFFFAOYSA-N
XLogP2.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.58
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)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide (CID 2219508) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is OZAZERQHZDQLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11-3-5-14(20-2)16(9-11)23(18,19)17-12-4-6-13-15(10-12)22-8-7-21-13/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 335.38 g/mol, XLogP of 2.58, 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)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 2219508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).