N-benzyl-1,2,3-benzothiadiazole-6-carboxamide

C14H11N3OS — CID 2726714

IUPACN-benzyl-1,2,3-benzothiadiazole-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2nnsc2c1
InChIInChI=1S/C14H11N3OS/c18-14(15-9-10-4-2-1-3-5-10)11-6-7-12-13(8-11)19-17-16-12/h1-8H,9H2,(H,15,18)
InChIKeyZYTZSFBLVSXWGP-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.62
Rot. Bonds3

About N-benzyl-1,2,3-benzothiadiazole-6-carboxamide

N-benzyl-1,2,3-benzothiadiazole-6-carboxamide (PubChem CID 2726714) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-benzyl-1,2,3-benzothiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,2,3-benzothiadiazole-6-carboxamide
PubChem CID2726714
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-benzyl-1,2,3-benzothiadiazole-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2nnsc2c1
InChIInChI=1S/C14H11N3OS/c18-14(15-9-10-4-2-1-3-5-10)11-6-7-12-13(8-11)19-17-16-12/h1-8H,9H2,(H,15,18)
InChIKeyZYTZSFBLVSXWGP-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2,3-benzothiadiazole-6-carboxamide?
The IUPAC name of N-benzyl-1,2,3-benzothiadiazole-6-carboxamide (CID 2726714) is N-benzyl-1,2,3-benzothiadiazole-6-carboxamide.
What is the SMILES notation for N-benzyl-1,2,3-benzothiadiazole-6-carboxamide?
The canonical SMILES for N-benzyl-1,2,3-benzothiadiazole-6-carboxamide is O=C(NCc1ccccc1)c1ccc2nnsc2c1.
What is the InChIKey of N-benzyl-1,2,3-benzothiadiazole-6-carboxamide?
The InChIKey is ZYTZSFBLVSXWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14(15-9-10-4-2-1-3-5-10)11-6-7-12-13(8-11)19-17-16-12/h1-8H,9H2,(H,15,18).
What are the key properties of N-benzyl-1,2,3-benzothiadiazole-6-carboxamide?
N-benzyl-1,2,3-benzothiadiazole-6-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2,3-benzothiadiazole-6-carboxamide is sourced from PubChem (CID 2726714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).