N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide

C15H11N5O3S3 — CID 20971892

IUPACN-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2s1
InChIInChI=1S/C15H11N5O3S3/c1-8(21)16-15-17-11-7-9(5-6-12(11)24-15)20-26(22,23)13-4-2-3-10-14(13)19-25-18-10/h2-7,20H,1H3,(H,16,17,21)
InChIKeyLDWXFDVTCANWMR-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.06
Rot. Bonds4

About N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide

N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 20971892) has the molecular formula C15H11N5O3S3 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide
PubChem CID20971892
Molecular FormulaC15H11N5O3S3
Molecular Weight405.49 g/mol
Exact Mass405.00
IUPAC NameN-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2s1
InChIInChI=1S/C15H11N5O3S3/c1-8(21)16-15-17-11-7-9(5-6-12(11)24-15)20-26(22,23)13-4-2-3-10-14(13)19-25-18-10/h2-7,20H,1H3,(H,16,17,21)
InChIKeyLDWXFDVTCANWMR-UHFFFAOYSA-N
XLogP3.06
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
N-[5-[(3-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971915
N-[5-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971908
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971882
N-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971880
methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-hydroxybenzoate
CID 71612164
N-(3-amino-4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 43343951
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22773871
N-[5-[(2-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379313
1-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)phenyl]-3-cyclopropylurea
CID 46534987
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide (CID 20971892) is N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2s1.
What is the InChIKey of N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is LDWXFDVTCANWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3S3/c1-8(21)16-15-17-11-7-9(5-6-12(11)24-15)20-26(22,23)13-4-2-3-10-14(13)19-25-18-10/h2-7,20H,1H3,(H,16,17,21).
What are the key properties of N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide?
N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 405.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 20971892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).