N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide

C9H5BrN4O2S3 — CID 60785604

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)c1cccc2nsnc12
InChIInChI=1S/C9H5BrN4O2S3/c10-7-4-11-9(17-7)14-19(15,16)6-3-1-2-5-8(6)13-18-12-5/h1-4H,(H,11,14)
InChIKeyRWXQLSKOWNSPJK-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.71
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 60785604) has the molecular formula C9H5BrN4O2S3 and a molecular weight of 377.27 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID60785604
Molecular FormulaC9H5BrN4O2S3
Molecular Weight377.27 g/mol
Exact Mass375.88
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)c1cccc2nsnc12
InChIInChI=1S/C9H5BrN4O2S3/c10-7-4-11-9(17-7)14-19(15,16)6-3-1-2-5-8(6)13-18-12-5/h1-4H,(H,11,14)
InChIKeyRWXQLSKOWNSPJK-UHFFFAOYSA-N
XLogP2.71
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 167983764
N-(2,3,5,6-tetrafluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22774605
N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 61394195
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
N-(2-amino-6-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 43343954
N-(2-methylsulfanylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22775212
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22773871
N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60783708
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 64558490
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 61413865

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 60785604) is N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(Nc1ncc(Br)s1)c1cccc2nsnc12.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is RWXQLSKOWNSPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4O2S3/c10-7-4-11-9(17-7)14-19(15,16)6-3-1-2-5-8(6)13-18-12-5/h1-4H,(H,11,14).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 377.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 60785604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).