N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

C14H14N2O4S — CID 43550629

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESNc1cc2c(cc1NS(=O)(=O)c1ccccc1)OCCO2
InChIInChI=1S/C14H14N2O4S/c15-11-8-13-14(20-7-6-19-13)9-12(11)16-21(17,18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7,15H2
InChIKeyPUSWXWVVXDHXMJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.84
Rot. Bonds3

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (PubChem CID 43550629) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
PubChem CID43550629
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESNc1cc2c(cc1NS(=O)(=O)c1ccccc1)OCCO2
InChIInChI=1S/C14H14N2O4S/c15-11-8-13-14(20-7-6-19-13)9-12(11)16-21(17,18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7,15H2
InChIKeyPUSWXWVVXDHXMJ-UHFFFAOYSA-N
XLogP1.84
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
CID 17477626
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-sulfonamide
CID 60915947
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
6-N-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 114804542
6-[(3-sulfamoylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 18285616
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazole-3-sulfonamide
CID 104709410
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-bromothiophene-2-sulfonamide
CID 61457929
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutane-1-sulfonamide
CID 63858004
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413868

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (CID 43550629) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is Nc1cc2c(cc1NS(=O)(=O)c1ccccc1)OCCO2.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The InChIKey is PUSWXWVVXDHXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c15-11-8-13-14(20-7-6-19-13)9-12(11)16-21(17,18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7,15H2.
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is sourced from PubChem (CID 43550629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).