N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide

C8H9N3O2S2 — CID 541928

IUPACN,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C8H9N3O2S2/c1-11(2)15(12,13)7-5-3-4-6-8(7)10-14-9-6/h3-5H,1-2H3
InChIKeyPSEFZGUGTOMSBQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.94
Rot. Bonds2

About N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide

N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 541928) has the molecular formula C8H9N3O2S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID541928
Molecular FormulaC8H9N3O2S2
Molecular Weight243.31 g/mol
Exact Mass243.01
IUPAC NameN,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C8H9N3O2S2/c1-11(2)15(12,13)7-5-3-4-6-8(7)10-14-9-6/h3-5H,1-2H3
InChIKeyPSEFZGUGTOMSBQ-UHFFFAOYSA-N
XLogP0.94
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 541928) is N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide is CN(C)S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is PSEFZGUGTOMSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S2/c1-11(2)15(12,13)7-5-3-4-6-8(7)10-14-9-6/h3-5H,1-2H3.
What are the key properties of N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide?
N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 243.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 541928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).