N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide

C15H13N3OS — CID 17014823

IUPACN-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc2nnsc2c1
InChIInChI=1S/C15H13N3OS/c1-9-4-3-5-10(2)14(9)16-15(19)11-6-7-12-13(8-11)20-18-17-12/h3-8H,1-2H3,(H,16,19)
InChIKeyKKSLUYJOXZCEJP-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.56
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide

N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide (PubChem CID 17014823) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide
PubChem CID17014823
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc2nnsc2c1
InChIInChI=1S/C15H13N3OS/c1-9-4-3-5-10(2)14(9)16-15(19)11-6-7-12-13(8-11)20-18-17-12/h3-8H,1-2H3,(H,16,19)
InChIKeyKKSLUYJOXZCEJP-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide (CID 17014823) is N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc2nnsc2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide?
The InChIKey is KKSLUYJOXZCEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-4-3-5-10(2)14(9)16-15(19)11-6-7-12-13(8-11)20-18-17-12/h3-8H,1-2H3,(H,16,19).
What are the key properties of N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide?
N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,2,3-benzothiadiazole-6-carboxamide is sourced from PubChem (CID 17014823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).