N-phenyl-2,1,3-benzothiadiazole-5-carboxamide

C13H9N3OS — CID 684852

IUPACN-phenyl-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2nsnc2c1
InChIInChI=1S/C13H9N3OS/c17-13(14-10-4-2-1-3-5-10)9-6-7-11-12(8-9)16-18-15-11/h1-8H,(H,14,17)
InChIKeyBKQVHAYFODNKFR-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds2

About N-phenyl-2,1,3-benzothiadiazole-5-carboxamide

N-phenyl-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 684852) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-phenyl-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID684852
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-phenyl-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2nsnc2c1
InChIInChI=1S/C13H9N3OS/c17-13(14-10-4-2-1-3-5-10)9-6-7-11-12(8-9)16-18-15-11/h1-8H,(H,14,17)
InChIKeyBKQVHAYFODNKFR-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 2037551
N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099097
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274164
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 798045
2-(2,1,3-benzothiadiazole-5-carbonylamino)benzoate
CID 6919302
N-(3-chloro-4-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274467
N-(2,1,3-benzothiadiazol-5-yl)-4-bromobenzamide
CID 26823481
N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3107678
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122317139
N-(4-fluoro-3-nitrophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099336
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122290573

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-phenyl-2,1,3-benzothiadiazole-5-carboxamide (CID 684852) is N-phenyl-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-phenyl-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-phenyl-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2nsnc2c1.
What is the InChIKey of N-phenyl-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is BKQVHAYFODNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-13(14-10-4-2-1-3-5-10)9-6-7-11-12(8-9)16-18-15-11/h1-8H,(H,14,17).
What are the key properties of N-phenyl-2,1,3-benzothiadiazole-5-carboxamide?
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 684852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).