N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide

C13H19N5O2S2 — CID 131913059

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N(C)Cc2ccc3nsnc3c2)CC1
InChIInChI=1S/C13H19N5O2S2/c1-16-5-7-18(8-6-16)22(19,20)17(2)10-11-3-4-12-13(9-11)15-21-14-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyFNMGYQXOMIIYID-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.62
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide (PubChem CID 131913059) has the molecular formula C13H19N5O2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide
PubChem CID131913059
Molecular FormulaC13H19N5O2S2
Molecular Weight341.46 g/mol
Exact Mass341.10
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N(C)Cc2ccc3nsnc3c2)CC1
InChIInChI=1S/C13H19N5O2S2/c1-16-5-7-18(8-6-16)22(19,20)17(2)10-11-3-4-12-13(9-11)15-21-14-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyFNMGYQXOMIIYID-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide (CID 131913059) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide is CN1CCN(S(=O)(=O)N(C)Cc2ccc3nsnc3c2)CC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide?
The InChIKey is FNMGYQXOMIIYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S2/c1-16-5-7-18(8-6-16)22(19,20)17(2)10-11-3-4-12-13(9-11)15-21-14-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 131913059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).