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

C14H14N2O4S — CID 817443

IUPACN-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14N2O4S/c17-21(18,16-10-11-3-5-15-6-4-11)12-1-2-13-14(9-12)20-8-7-19-13/h1-6,9,16H,7-8,10H2
InChIKeyNSTCFTQDDSTYDM-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.33
Rot. Bonds4

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

N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 817443) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID817443
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14N2O4S/c17-21(18,16-10-11-3-5-15-6-4-11)12-1-2-13-14(9-12)20-8-7-19-13/h1-6,9,16H,7-8,10H2
InChIKeyNSTCFTQDDSTYDM-UHFFFAOYSA-N
XLogP1.33
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
Hexahydro quinoline derivative 1
CID 121325265
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121325256
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
3,4-dimethoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237445
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 989151
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1306472
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2315879

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 817443) is N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCc1ccncc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is NSTCFTQDDSTYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-21(18,16-10-11-3-5-15-6-4-11)12-1-2-13-14(9-12)20-8-7-19-13/h1-6,9,16H,7-8,10H2.
What are the key properties of N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 306.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 817443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).