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

C12H9N3O3S — CID 6467616

IUPACN-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc2nonc12
InChIInChI=1S/C12H9N3O3S/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h1-8,15H
InChIKeyJSKQJULRQVVHSS-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.02
Rot. Bonds3

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

N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 6467616) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID6467616
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC NameN-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc2nonc12
InChIInChI=1S/C12H9N3O3S/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h1-8,15H
InChIKeyJSKQJULRQVVHSS-UHFFFAOYSA-N
XLogP2.02
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)phenyl]acetic acid
CID 17374414
N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 4092014
N-(4-iodo-3-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 11531746
N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 75393074
N-(2,6-dimethylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773719
N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 3265280
N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
CID 84591138
N-(2-butylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774384
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 17374551
N-(4-bromo-2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773615
N-(4-bromo-2-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774651
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 6467616) is N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(Nc1ccccc1)c1cccc2nonc12.
What is the InChIKey of N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is JSKQJULRQVVHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h1-8,15H.
What are the key properties of N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide?
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 275.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 6467616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).