N-oxo-2,1,3-benzothiadiazole-4-carboxamide

C7H3N3O2S — CID 134287124

IUPACN-oxo-2,1,3-benzothiadiazole-4-carboxamide
SMILESO=NC(=O)c1cccc2nsnc12
InChIInChI=1S/C7H3N3O2S/c11-7(8-12)4-2-1-3-5-6(4)10-13-9-5/h1-3H
InChIKeyBIHBRSJGTJMGRF-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.60
Rot. Bonds1

About N-oxo-2,1,3-benzothiadiazole-4-carboxamide

N-oxo-2,1,3-benzothiadiazole-4-carboxamide (PubChem CID 134287124) has the molecular formula C7H3N3O2S and a molecular weight of 193.19 g/mol. Its IUPAC name is N-oxo-2,1,3-benzothiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-oxo-2,1,3-benzothiadiazole-4-carboxamide
PubChem CID134287124
Molecular FormulaC7H3N3O2S
Molecular Weight193.19 g/mol
Exact Mass192.99
IUPAC NameN-oxo-2,1,3-benzothiadiazole-4-carboxamide
SMILESO=NC(=O)c1cccc2nsnc12
InChIInChI=1S/C7H3N3O2S/c11-7(8-12)4-2-1-3-5-6(4)10-13-9-5/h1-3H
InChIKeyBIHBRSJGTJMGRF-UHFFFAOYSA-N
XLogP1.60
TPSA72.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,1,3-benzothiadiazol-4-yl)-2-bromoethanone
CID 53421986
N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide
CID 42545444
N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide
CID 42545374
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide
CID 51170144
2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 42554843
N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide
CID 42545433
2,1,3-benzothiadiazol-4-amine;methane
CID 142242922
N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
CID 711890
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
(E)-3-(2,1,3-benzothiadiazol-4-yliminomethyl)-4-hydroxypent-3-en-2-one
CID 137346117
N-[1-(6-oxo-1H-pyrimidin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 166387595
sodium 2,1,3-benzothiadiazole-4-sulfonate
CID 70700530

Frequently Asked Questions

What is the IUPAC name of N-oxo-2,1,3-benzothiadiazole-4-carboxamide?
The IUPAC name of N-oxo-2,1,3-benzothiadiazole-4-carboxamide (CID 134287124) is N-oxo-2,1,3-benzothiadiazole-4-carboxamide.
What is the SMILES notation for N-oxo-2,1,3-benzothiadiazole-4-carboxamide?
The canonical SMILES for N-oxo-2,1,3-benzothiadiazole-4-carboxamide is O=NC(=O)c1cccc2nsnc12.
What is the InChIKey of N-oxo-2,1,3-benzothiadiazole-4-carboxamide?
The InChIKey is BIHBRSJGTJMGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3O2S/c11-7(8-12)4-2-1-3-5-6(4)10-13-9-5/h1-3H.
What are the key properties of N-oxo-2,1,3-benzothiadiazole-4-carboxamide?
N-oxo-2,1,3-benzothiadiazole-4-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-2,1,3-benzothiadiazole-4-carboxamide is sourced from PubChem (CID 134287124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).