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

C15H16N2O4S — CID 110758903

IUPAC7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCc1ccccn1)OCCO2
InChIInChI=1S/C15H16N2O4S/c1-11-8-13-14(21-7-6-20-13)9-15(11)22(18,19)17-10-12-4-2-3-5-16-12/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyOZOVSFOLSAOUEI-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.64
Rot. Bonds4

About 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110758903) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound Name7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110758903
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCc1ccccn1)OCCO2
InChIInChI=1S/C15H16N2O4S/c1-11-8-13-14(21-7-6-20-13)9-15(11)22(18,19)17-10-12-4-2-3-5-16-12/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyOZOVSFOLSAOUEI-UHFFFAOYSA-N
XLogP1.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758904
4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 46272074
4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107326525
N-tert-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758916
7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758925
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 46972338
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-N-(pyridin-2-ylmethyl)-1,4-benzoxazine-7-sulfonamide
CID 53199212
N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758931
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 40734479

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110758903) is 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NCc1ccccn1)OCCO2.
What is the InChIKey of 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is OZOVSFOLSAOUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-11-8-13-14(21-7-6-20-13)9-15(11)22(18,19)17-10-12-4-2-3-5-16-12/h2-5,8-9,17H,6-7,10H2,1H3.
What are the key properties of 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110758903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).