N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide

C16H13N5O3S — CID 22204321

IUPACN-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cccc2nonc12
InChIInChI=1S/C16H13N5O3S/c22-25(23,15-8-4-7-14-16(15)19-24-18-14)20-13-9-17-21(11-13)10-12-5-2-1-3-6-12/h1-9,11,20H,10H2
InChIKeyXTUZGTSHMIQALZ-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.27
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide

N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 22204321) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID22204321
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC NameN-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cccc2nonc12
InChIInChI=1S/C16H13N5O3S/c22-25(23,15-8-4-7-14-16(15)19-24-18-14)20-13-9-17-21(11-13)10-12-5-2-1-3-6-12/h1-9,11,20H,10H2
InChIKeyXTUZGTSHMIQALZ-UHFFFAOYSA-N
XLogP2.27
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide (CID 22204321) is N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cccc2nonc12.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is XTUZGTSHMIQALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c22-25(23,15-8-4-7-14-16(15)19-24-18-14)20-13-9-17-21(11-13)10-12-5-2-1-3-6-12/h1-9,11,20H,10H2.
What are the key properties of N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide?
N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 355.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 22204321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).