4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide

C8H8N4O3S — CID 45117546

IUPAC4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncon2)cc1
InChIInChI=1S/C8H8N4O3S/c9-6-1-3-7(4-2-6)16(13,14)12-8-10-5-15-11-8/h1-5H,9H2,(H,11,12)
InChIKeyTWCPEXSCWIGBNS-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.45
Rot. Bonds3

About 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide

4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 45117546) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID45117546
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncon2)cc1
InChIInChI=1S/C8H8N4O3S/c9-6-1-3-7(4-2-6)16(13,14)12-8-10-5-15-11-8/h1-5H,9H2,(H,11,12)
InChIKeyTWCPEXSCWIGBNS-UHFFFAOYSA-N
XLogP0.45
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
CID 57350054
CID 57350054
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium
CID 175029093
4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 102025730
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
CID 131880907
CID 131880907
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 45117546) is 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ncon2)cc1.
What is the InChIKey of 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is TWCPEXSCWIGBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c9-6-1-3-7(4-2-6)16(13,14)12-8-10-5-15-11-8/h1-5H,9H2,(H,11,12).
What are the key properties of 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide?
4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 240.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 45117546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).