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

C13H16N2O4S — CID 43535590

IUPAC2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccco2)c(N)c1
InChIInChI=1S/C13H16N2O4S/c1-9(12-4-3-7-19-12)15-20(16,17)13-6-5-10(18-2)8-11(13)14/h3-9,15H,14H2,1-2H3
InChIKeyNUBDLIQVDUDGRJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.91
Rot. Bonds5

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

2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 43535590) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID43535590
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccco2)c(N)c1
InChIInChI=1S/C13H16N2O4S/c1-9(12-4-3-7-19-12)15-20(16,17)13-6-5-10(18-2)8-11(13)14/h3-9,15H,14H2,1-2H3
InChIKeyNUBDLIQVDUDGRJ-UHFFFAOYSA-N
XLogP1.91
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.91
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-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 64898473
5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416
N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110731612
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 8817696
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide (CID 43535590) is 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccco2)c(N)c1.
What is the InChIKey of 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is NUBDLIQVDUDGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9(12-4-3-7-19-12)15-20(16,17)13-6-5-10(18-2)8-11(13)14/h3-9,15H,14H2,1-2H3.
What are the key properties of 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide?
2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43535590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).