2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide

C13H13N3O3S — CID 64898473

IUPAC2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1N)c1ccco1
InChIInChI=1S/C13H13N3O3S/c1-9(12-3-2-6-19-12)16-20(17,18)13-5-4-10(8-14)7-11(13)15/h2-7,9,16H,15H2,1H3
InChIKeySFEBEXYSFLXQOG-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide

2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 64898473) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID64898473
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1N)c1ccco1
InChIInChI=1S/C13H13N3O3S/c1-9(12-3-2-6-19-12)16-20(17,18)13-5-4-10(8-14)7-11(13)15/h2-7,9,16H,15H2,1H3
InChIKeySFEBEXYSFLXQOG-UHFFFAOYSA-N
XLogP1.77
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 43535590
2-amino-4-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 64900647
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
2-amino-4-cyano-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106153276
5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239
5-amino-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
2-amino-4-cyano-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 64897655
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide (CID 64898473) is 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(C#N)cc1N)c1ccco1.
What is the InChIKey of 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SFEBEXYSFLXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-9(12-3-2-6-19-12)16-20(17,18)13-5-4-10(8-14)7-11(13)15/h2-7,9,16H,15H2,1H3.
What are the key properties of 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 64898473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).