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

C10H8N4O3S — CID 62902060

IUPAC4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C10H8N4O3S/c11-6-7-5-8(12)1-2-9(7)18(15,16)14-10-3-4-17-13-10/h1-5H,12H2,(H,13,14)
InChIKeyRQDOFKAXSTZOBB-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.93
Rot. Bonds3

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

4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 62902060) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID62902060
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C10H8N4O3S/c11-6-7-5-8(12)1-2-9(7)18(15,16)14-10-3-4-17-13-10/h1-5H,12H2,(H,13,14)
InChIKeyRQDOFKAXSTZOBB-UHFFFAOYSA-N
XLogP0.93
TPSA122.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.93
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

4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
CID 102931209
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166320
4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
CID 103093927
3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 107325808
4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479708
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
4-amino-2-cyano-N,N-dimethylbenzenesulfonamide
CID 43256213

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 62902060) is 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide is N#Cc1cc(N)ccc1S(=O)(=O)Nc1ccon1.
What is the InChIKey of 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is RQDOFKAXSTZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S/c11-6-7-5-8(12)1-2-9(7)18(15,16)14-10-3-4-17-13-10/h1-5H,12H2,(H,13,14).
What are the key properties of 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide?
4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 264.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62902060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).