5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C13H15FN2O3S — CID 61126243

IUPAC5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(N)ccc2F)o1
InChIInChI=1S/C13H15FN2O3S/c1-8-3-6-12(19-8)9(2)16-20(17,18)13-7-10(15)4-5-11(13)14/h3-7,9,16H,15H2,1-2H3
InChIKeyUGUYPIAJRHADQX-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.35
Rot. Bonds4

About 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 61126243) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID61126243
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(N)ccc2F)o1
InChIInChI=1S/C13H15FN2O3S/c1-8-3-6-12(19-8)9(2)16-20(17,18)13-7-10(15)4-5-11(13)14/h3-7,9,16H,15H2,1-2H3
InChIKeyUGUYPIAJRHADQX-UHFFFAOYSA-N
XLogP2.35
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106003394
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126627
5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081883
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 61126243) is 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cc(N)ccc2F)o1.
What is the InChIKey of 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is UGUYPIAJRHADQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-8-3-6-12(19-8)9(2)16-20(17,18)13-7-10(15)4-5-11(13)14/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61126243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).