5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide

C13H17N3O3S — CID 79895953

IUPAC5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide
SMILESCc1c(NC(C)c2ccco2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-8-11(16-9(2)12-4-3-5-19-12)6-10(14)7-13(8)20(15,17)18/h3-7,9,16H,14H2,1-2H3,(H2,15,17,18)
InChIKeyRAUFVJSUNMVAFX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.99
Rot. Bonds4

About 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide

5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide (PubChem CID 79895953) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide
PubChem CID79895953
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide
SMILESCc1c(NC(C)c2ccco2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-8-11(16-9(2)12-4-3-5-19-12)6-10(14)7-13(8)20(15,17)18/h3-7,9,16H,14H2,1-2H3,(H2,15,17,18)
InChIKeyRAUFVJSUNMVAFX-UHFFFAOYSA-N
XLogP1.99
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
CID 79466885
5-amino-3-(3-ethylpentan-2-ylamino)-2-methylbenzenesulfonamide
CID 79897192
5-amino-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
5-amino-2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 79900697
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 43535569
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
5-amino-3-(2-ethylanilino)-2-methylbenzenesulfonamide
CID 79899523
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide (CID 79895953) is 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide is Cc1c(NC(C)c2ccco2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide?
The InChIKey is RAUFVJSUNMVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-11(16-9(2)12-4-3-5-19-12)6-10(14)7-13(8)20(15,17)18/h3-7,9,16H,14H2,1-2H3,(H2,15,17,18).
What are the key properties of 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide?
5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79895953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).