4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H7ClN4O2S2 — CID 107342675

IUPAC4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2nnsc2Cl)c2ccccc21
InChIInChI=1S/C10H7ClN4O2S2/c11-10-7(13-14-18-10)5-15-6-12-19(16,17)9-4-2-1-3-8(9)15/h1-4,6H,5H2
InChIKeyFYGXAPZSYQOLSE-UHFFFAOYSA-N
MW314.78 g/mol
LogP1.93
Rot. Bonds2

About 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 107342675) has the molecular formula C10H7ClN4O2S2 and a molecular weight of 314.78 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID107342675
Molecular FormulaC10H7ClN4O2S2
Molecular Weight314.78 g/mol
Exact Mass313.97
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2nnsc2Cl)c2ccccc21
InChIInChI=1S/C10H7ClN4O2S2/c11-10-7(13-14-18-10)5-15-6-12-19(16,17)9-4-2-1-3-8(9)15/h1-4,6H,5H2
InChIKeyFYGXAPZSYQOLSE-UHFFFAOYSA-N
XLogP1.93
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 107342675) is 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(Cc2nnsc2Cl)c2ccccc21.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is FYGXAPZSYQOLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2S2/c11-10-7(13-14-18-10)5-15-6-12-19(16,17)9-4-2-1-3-8(9)15/h1-4,6H,5H2.
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 314.78 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiadiazol-4-yl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 107342675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).