2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide

C12H12N4O3S — CID 64897437

IUPAC2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(C#N)cc2N)on1
InChIInChI=1S/C12H12N4O3S/c1-8-4-10(19-16-8)7-15-20(17,18)12-3-2-9(6-13)5-11(12)14/h2-5,15H,7,14H2,1H3
InChIKeyAJVNAEMKLLNAPA-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.92
Rot. Bonds4

About 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide

2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 64897437) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID64897437
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(C#N)cc2N)on1
InChIInChI=1S/C12H12N4O3S/c1-8-4-10(19-16-8)7-15-20(17,18)12-3-2-9(6-13)5-11(12)14/h2-5,15H,7,14H2,1H3
InChIKeyAJVNAEMKLLNAPA-UHFFFAOYSA-N
XLogP0.92
TPSA122.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.92
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

2-amino-4-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 64899567
3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79888991
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
CID 64899350
2-amino-4-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64899351
2-amino-4-cyano-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64897423
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79179657
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102694330
2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 64899992
3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274931

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (CID 64897437) is 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(C#N)cc2N)on1.
What is the InChIKey of 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is AJVNAEMKLLNAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-8-4-10(19-16-8)7-15-20(17,18)12-3-2-9(6-13)5-11(12)14/h2-5,15H,7,14H2,1H3.
What are the key properties of 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 64897437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).