N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide

C15H13N3O3S — CID 765413

IUPACN-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1OC
InChIInChI=1S/C15H13N3O3S/c1-20-13-6-3-9(7-14(13)21-2)15(19)16-10-4-5-11-12(8-10)18-22-17-11/h3-8H,1-2H3,(H,16,19)
InChIKeyJXMGYKIVPCSUNB-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.96
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide

N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide (PubChem CID 765413) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide
PubChem CID765413
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1OC
InChIInChI=1S/C15H13N3O3S/c1-20-13-6-3-9(7-14(13)21-2)15(19)16-10-4-5-11-12(8-10)18-22-17-11/h3-8H,1-2H3,(H,16,19)
InChIKeyJXMGYKIVPCSUNB-UHFFFAOYSA-N
XLogP2.96
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4,5-trimethoxybenzamide
CID 1123637
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-(2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2890586
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 2206620
1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone
CID 737680

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide (CID 765413) is N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1OC.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide?
The InChIKey is JXMGYKIVPCSUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-20-13-6-3-9(7-14(13)21-2)15(19)16-10-4-5-11-12(8-10)18-22-17-11/h3-8H,1-2H3,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide?
N-(2,1,3-benzothiadiazol-5-yl)-3,4-dimethoxybenzamide has a molecular weight of 315.35 g/mol, XLogP of 2.96, 4 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-5-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 765413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).