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

C9H7N5O3S — CID 75393074

IUPACN-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)c1cccc2nonc12
InChIInChI=1S/C9H7N5O3S/c15-18(16,14-6-4-10-11-5-6)8-3-1-2-7-9(8)13-17-12-7/h1-5,14H,(H,10,11)
InChIKeyYLRLISXETQUDKR-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.75
Rot. Bonds3

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

N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 75393074) has the molecular formula C9H7N5O3S and a molecular weight of 265.25 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID75393074
Molecular FormulaC9H7N5O3S
Molecular Weight265.25 g/mol
Exact Mass265.03
IUPAC NameN-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)c1cccc2nonc12
InChIInChI=1S/C9H7N5O3S/c15-18(16,14-6-4-10-11-5-6)8-3-1-2-7-9(8)13-17-12-7/h1-5,14H,(H,10,11)
InChIKeyYLRLISXETQUDKR-UHFFFAOYSA-N
XLogP0.75
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 4092014
N-(2,6-dimethylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773719
2-[4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)phenyl]acetic acid
CID 17374414
N-(4-iodo-3-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 11531746
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546
N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 3265280
N-(4-bromo-2-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774651
N-(4-bromo-2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773615
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201410
N-(2-butylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774384
N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
CID 84591138

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide (CID 75393074) is N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(Nc1cn[nH]c1)c1cccc2nonc12.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is YLRLISXETQUDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3S/c15-18(16,14-6-4-10-11-5-6)8-3-1-2-7-9(8)13-17-12-7/h1-5,14H,(H,10,11).
What are the key properties of N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide?
N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 265.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 75393074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).