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

C8H9N3O3S — CID 15994053

IUPACN,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C8H9N3O3S/c1-11(2)15(12,13)7-5-3-4-6-8(7)10-14-9-6/h3-5H,1-2H3
InChIKeyXDWBVLYUTTXKNE-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.47
Rot. Bonds2

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

N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 15994053) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID15994053
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC NameN,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C8H9N3O3S/c1-11(2)15(12,13)7-5-3-4-6-8(7)10-14-9-6/h3-5H,1-2H3
InChIKeyXDWBVLYUTTXKNE-UHFFFAOYSA-N
XLogP0.47
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.47
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-benzoxadiazole-4-sulfonamide?
The IUPAC name of N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 15994053) is N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is CN(C)S(=O)(=O)c1cccc2nonc12.
What is the InChIKey of N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is XDWBVLYUTTXKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/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-benzoxadiazole-4-sulfonamide?
N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 227.25 g/mol, XLogP of 0.47, 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-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 15994053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).