N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H11N3O3S — CID 2890586

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11N3O3S/c19-15(9-4-5-12-13(8-9)21-7-6-20-12)16-10-2-1-3-11-14(10)18-22-17-11/h1-5,8H,6-7H2,(H,16,19)
InChIKeyXRTSIORUDZRRLY-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.71
Rot. Bonds2

About N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 2890586) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID2890586
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11N3O3S/c19-15(9-4-5-12-13(8-9)21-7-6-20-12)16-10-2-1-3-11-14(10)18-22-17-11/h1-5,8H,6-7H2,(H,16,19)
InChIKeyXRTSIORUDZRRLY-UHFFFAOYSA-N
XLogP2.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzotriazol-1-yl-(3,4-dimethoxyphenyl)methanone
CID 743706
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 714299
N-(2,1,3-benzothiadiazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 743082
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1115184
3,4,5-triethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
CID 1204227
N-(2-phenyl-5-benzotriazolyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
CID 1364199
N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 2208079
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 2206620
N-benzo[c]1,2,5-thiadiazol-5-yl(3,4-dimethoxyphenyl)carboxamide
CID 765413
Cambridge id 6012284
CID 1363285
N-[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 2890586) is N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1cccc2nsnc12)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is XRTSIORUDZRRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-15(9-4-5-12-13(8-9)21-7-6-20-12)16-10-2-1-3-11-14(10)18-22-17-11/h1-5,8H,6-7H2,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 2890586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).