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

C13H14N4O3S — CID 106368933

IUPAC4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(N)cc2C#N)o1
InChIInChI=1S/C13H14N4O3S/c1-2-11-7-16-13(20-11)8-17-21(18,19)12-4-3-10(15)5-9(12)6-14/h3-5,7,17H,2,8,15H2,1H3
InChIKeyIRLPEUYEBOYLCD-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.17
Rot. Bonds5

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

4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 106368933) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID106368933
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(N)cc2C#N)o1
InChIInChI=1S/C13H14N4O3S/c1-2-11-7-16-13(20-11)8-17-21(18,19)12-4-3-10(15)5-9(12)6-14/h3-5,7,17H,2,8,15H2,1H3
InChIKeyIRLPEUYEBOYLCD-UHFFFAOYSA-N
XLogP1.17
TPSA122.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.17
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-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 106368983
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106543915
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950
5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369551
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 106371995

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 106368933) is 4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2ccc(N)cc2C#N)o1.
What is the InChIKey of 4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is IRLPEUYEBOYLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-2-11-7-16-13(20-11)8-17-21(18,19)12-4-3-10(15)5-9(12)6-14/h3-5,7,17H,2,8,15H2,1H3.
What are the key properties of 4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 306.35 g/mol, XLogP of 1.17, 5 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-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106368933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).