4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole

C11H14N4O2S2 — CID 757158

IUPAC4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C11H14N4O2S2/c1-14-5-7-15(8-6-14)19(16,17)10-4-2-3-9-11(10)13-18-12-9/h2-4H,5-8H2,1H3
InChIKeyGVAHAUGCQNIZKB-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.63
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole

4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole (PubChem CID 757158) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
PubChem CID757158
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C11H14N4O2S2/c1-14-5-7-15(8-6-14)19(16,17)10-4-2-3-9-11(10)13-18-12-9/h2-4H,5-8H2,1H3
InChIKeyGVAHAUGCQNIZKB-UHFFFAOYSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole (CID 757158) is 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole is CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The InChIKey is GVAHAUGCQNIZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-14-5-7-15(8-6-14)19(16,17)10-4-2-3-9-11(10)13-18-12-9/h2-4H,5-8H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole has a molecular weight of 298.39 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 757158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).