N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide

C14H15FN2O2S — CID 43604941

IUPACN-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(N)ccc2F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-2-10-3-6-12(7-4-10)20(18,19)17-14-9-11(16)5-8-13(14)15/h3-9,17H,2,16H2,1H3
InChIKeySAHGVDJEGPNAJD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.77
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide

N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide (PubChem CID 43604941) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
PubChem CID43604941
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(N)ccc2F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-2-10-3-6-12(7-4-10)20(18,19)17-14-9-11(16)5-8-13(14)15/h3-9,17H,2,16H2,1H3
InChIKeySAHGVDJEGPNAJD-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
N-(5-amino-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185246
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
N-(5-amino-2-fluorophenyl)pyridine-3-sulfonamide
CID 24707183
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide (CID 43604941) is N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(N)ccc2F)cc1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide?
The InChIKey is SAHGVDJEGPNAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-10-3-6-12(7-4-10)20(18,19)17-14-9-11(16)5-8-13(14)15/h3-9,17H,2,16H2,1H3.
What are the key properties of N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide?
N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 43604941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).