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

C12H13FN2O3S — CID 61128180

IUPAC2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C12H13FN2O3S/c13-9-3-4-12(11(14)8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6,14H2
InChIKeyUYAZPFWLMHZLSR-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.52
Rot. Bonds5

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

2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 61128180) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID61128180
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C12H13FN2O3S/c13-9-3-4-12(11(14)8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6,14H2
InChIKeyUYAZPFWLMHZLSR-UHFFFAOYSA-N
XLogP1.52
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106035109
4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide
CID 62158762
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804
2-amino-4-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518578
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide
CID 62605153
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
2-amino-4-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332713

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide (CID 61128180) is 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)NCCc1ccco1.
What is the InChIKey of 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is UYAZPFWLMHZLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c13-9-3-4-12(11(14)8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6,14H2.
What are the key properties of 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide?
2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61128180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).