N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C13H13N3O4S — CID 60791769

IUPACN-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C13H13N3O4S/c14-13-4-1-9(8-15-13)16-21(17,18)10-2-3-11-12(7-10)20-6-5-19-11/h1-4,7-8,16H,5-6H2,(H2,14,15)
InChIKeyHAIYKPRWWCGAJQ-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.24
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 60791769) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID60791769
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C13H13N3O4S/c14-13-4-1-9(8-15-13)16-21(17,18)10-2-3-11-12(7-10)20-6-5-19-11/h1-4,7-8,16H,5-6H2,(H2,14,15)
InChIKeyHAIYKPRWWCGAJQ-UHFFFAOYSA-N
XLogP1.24
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71790233
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299
N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009808
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110727348
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110724383
N-[5-(propylamino)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113023518
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606554
N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112980041

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 60791769) is N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is HAIYKPRWWCGAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c14-13-4-1-9(8-15-13)16-21(17,18)10-2-3-11-12(7-10)20-6-5-19-11/h1-4,7-8,16H,5-6H2,(H2,14,15).
What are the key properties of N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 307.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 60791769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).