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

C16H18N2O4S — CID 7938079

IUPACN-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H18N2O4S/c1-2-18(12-13-5-7-17-8-6-13)23(19,20)14-3-4-15-16(11-14)22-10-9-21-15/h3-8,11H,2,9-10,12H2,1H3
InChIKeyAXQRPPUHAGAXCK-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.06
Rot. Bonds5

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

N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 7938079) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID7938079
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H18N2O4S/c1-2-18(12-13-5-7-17-8-6-13)23(19,20)14-3-4-15-16(11-14)22-10-9-21-15/h3-8,11H,2,9-10,12H2,1H3
InChIKeyAXQRPPUHAGAXCK-UHFFFAOYSA-N
XLogP2.06
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-[(3-chlorophenyl)methyl]-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260167
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76929421
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17402358
N-(2-bromoethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 80672872
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47006481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 7938079) is N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is AXQRPPUHAGAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-2-18(12-13-5-7-17-8-6-13)23(19,20)14-3-4-15-16(11-14)22-10-9-21-15/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 7938079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).