6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide

C15H17N3O3S — CID 56786531

IUPAC6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCOc3ccccc3C2)nc1
InChIInChI=1S/C15H17N3O3S/c1-16-22(19,20)13-6-7-15(17-10-13)18-8-9-21-14-5-3-2-4-12(14)11-18/h2-7,10,16H,8-9,11H2,1H3
InChIKeyREKTYQCOWYANOT-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.39
Rot. Bonds3

About 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide

6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 56786531) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide
PubChem CID56786531
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCOc3ccccc3C2)nc1
InChIInChI=1S/C15H17N3O3S/c1-16-22(19,20)13-6-7-15(17-10-13)18-8-9-21-14-5-3-2-4-12(14)11-18/h2-7,10,16H,8-9,11H2,1H3
InChIKeyREKTYQCOWYANOT-UHFFFAOYSA-N
XLogP1.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532
6-[2-(4-Methoxyphenyl)ethylamino]pyridine-3-sulfonamide
CID 9405815
N-(5-isopropylpyridin-2-yl)-N-(3-methylbutan-2-yl)-4-((tetrahydro-2H-pyran-4-yl)methoxy)benzenesulfonamide
CID 72194692
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801380
4-[(4-propoxybenzylidene)amino]-N-(2-pyridinyl)benzenesulfonamide
CID 1823125
N-[4-(Pyridin-2-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 3151770
6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide
CID 4885141
N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9114041
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 9391262
11-[(4-Methoxyphenyl)methyl]pyrido[3,2-c][1,2,5]benzoxathiazepine 5,5-dioxide
CID 10384395

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide (CID 56786531) is 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCOc3ccccc3C2)nc1.
What is the InChIKey of 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is REKTYQCOWYANOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-16-22(19,20)13-6-7-15(17-10-13)18-8-9-21-14-5-3-2-4-12(14)11-18/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide?
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 56786531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).