4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide

C12H15N3O2S — CID 113466265

IUPAC4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2S/c1-3-4-9(2)15-18(16,17)12-6-5-11(14)7-10(12)8-13/h3,5-7,9,15H,1,4,14H2,2H3
InChIKeyUTXXFHNFEPKSTE-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.38
Rot. Bonds5

About 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide

4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide (PubChem CID 113466265) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
PubChem CID113466265
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2S/c1-3-4-9(2)15-18(16,17)12-6-5-11(14)7-10(12)8-13/h3,5-7,9,15H,1,4,14H2,2H3
InChIKeyUTXXFHNFEPKSTE-UHFFFAOYSA-N
XLogP1.38
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113317113
4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945076
4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176394
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126627
2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106525
1-(4-amino-2-cyanophenyl)sulfonyl-3-tert-butylurea
CID 116646560
3-N-pent-4-en-2-ylbenzene-1,3-disulfonamide
CID 115632091

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide (CID 113466265) is 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide is C=CCC(C)NS(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide?
The InChIKey is UTXXFHNFEPKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-4-9(2)15-18(16,17)12-6-5-11(14)7-10(12)8-13/h3,5-7,9,15H,1,4,14H2,2H3.
What are the key properties of 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide?
4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide is sourced from PubChem (CID 113466265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).