N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide

C13H8ClN3OS — CID 2823335

IUPACN-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2snnc2c1
InChIInChI=1S/C13H8ClN3OS/c14-9-2-4-10(5-3-9)15-13(18)8-1-6-12-11(7-8)16-17-19-12/h1-7H,(H,15,18)
InChIKeyCNQARZPZTPBGMS-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.60
Rot. Bonds2

About N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide

N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 2823335) has the molecular formula C13H8ClN3OS and a molecular weight of 289.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID2823335
Molecular FormulaC13H8ClN3OS
Molecular Weight289.75 g/mol
Exact Mass289.01
IUPAC NameN-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2snnc2c1
InChIInChI=1S/C13H8ClN3OS/c14-9-2-4-10(5-3-9)15-13(18)8-1-6-12-11(7-8)16-17-19-12/h1-7H,(H,15,18)
InChIKeyCNQARZPZTPBGMS-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide (CID 2823335) is N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc2snnc2c1.
What is the InChIKey of N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is CNQARZPZTPBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3OS/c14-9-2-4-10(5-3-9)15-13(18)8-1-6-12-11(7-8)16-17-19-12/h1-7H,(H,15,18).
What are the key properties of N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide?
N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 289.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 2823335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).