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

C14H11N3OS — CID 3160956

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESCc1ccc2nsnc2c1NC(=O)c1ccccc1
InChIInChI=1S/C14H11N3OS/c1-9-7-8-11-13(17-19-16-11)12(9)15-14(18)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,18)
InChIKeyHPYLIYILTMKLCO-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.25
Rot. Bonds2

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

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (PubChem CID 3160956) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
PubChem CID3160956
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESCc1ccc2nsnc2c1NC(=O)c1ccccc1
InChIInChI=1S/C14H11N3OS/c1-9-7-8-11-13(17-19-16-11)12(9)15-14(18)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,18)
InChIKeyHPYLIYILTMKLCO-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (CID 3160956) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is Cc1ccc2nsnc2c1NC(=O)c1ccccc1.
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The InChIKey is HPYLIYILTMKLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-9-7-8-11-13(17-19-16-11)12(9)15-14(18)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,18).
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide has a molecular weight of 269.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is sourced from PubChem (CID 3160956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).