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

C15H17N3O3S — CID 46272074

IUPAC4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCOc2ccc(S(=O)(=O)NCc3ccccn3)cc21
InChIInChI=1S/C15H17N3O3S/c1-18-8-9-21-15-6-5-13(10-14(15)18)22(19,20)17-11-12-4-2-3-7-16-12/h2-7,10,17H,8-9,11H2,1H3
InChIKeyWHYYKSXJGJXHIU-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.39
Rot. Bonds4

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

4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 46272074) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID46272074
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCOc2ccc(S(=O)(=O)NCc3ccccn3)cc21
InChIInChI=1S/C15H17N3O3S/c1-18-8-9-21-15-6-5-13(10-14(15)18)22(19,20)17-11-12-4-2-3-7-16-12/h2-7,10,17H,8-9,11H2,1H3
InChIKeyWHYYKSXJGJXHIU-UHFFFAOYSA-N
XLogP1.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758903
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 53284171
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide
CID 50760117
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
5-methyl-4-oxo-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759161
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 110744724
N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22518919

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 46272074) is 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CN1CCOc2ccc(S(=O)(=O)NCc3ccccn3)cc21.
What is the InChIKey of 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is WHYYKSXJGJXHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18-8-9-21-15-6-5-13(10-14(15)18)22(19,20)17-11-12-4-2-3-7-16-12/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 46272074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).