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

C16H17NO6S — CID 1129998

IUPACN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C16H17NO6S/c1-20-13-5-3-11(9-15(13)21-2)17-24(18,19)12-4-6-14-16(10-12)23-8-7-22-14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyRBLHLVNLXSRFOZ-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.28
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 1129998) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID1129998
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C16H17NO6S/c1-20-13-5-3-11(9-15(13)21-2)17-24(18,19)12-4-6-14-16(10-12)23-8-7-22-14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyRBLHLVNLXSRFOZ-UHFFFAOYSA-N
XLogP2.28
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 1129998) is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is RBLHLVNLXSRFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-20-13-5-3-11(9-15(13)21-2)17-24(18,19)12-4-6-14-16(10-12)23-8-7-22-14/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 351.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 1129998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).