N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide

C14H15FN2O2S — CID 43298053

IUPACN-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1)c1ccccc1N
InChIInChI=1S/C14H15FN2O2S/c1-10(13-7-2-3-8-14(13)16)17-20(18,19)12-6-4-5-11(15)9-12/h2-10,17H,16H2,1H3
InChIKeyRMERFGYVVCQHGX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.45
Rot. Bonds4

About N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide

N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 43298053) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID43298053
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1)c1ccccc1N
InChIInChI=1S/C14H15FN2O2S/c1-10(13-7-2-3-8-14(13)16)17-20(18,19)12-6-4-5-11(15)9-12/h2-10,17H,16H2,1H3
InChIKeyRMERFGYVVCQHGX-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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

N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
CID 43298057
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide
CID 22482284
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide (CID 43298053) is N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1cccc(F)c1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is RMERFGYVVCQHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10(13-7-2-3-8-14(13)16)17-20(18,19)12-6-4-5-11(15)9-12/h2-10,17H,16H2,1H3.
What are the key properties of N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide?
N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 43298053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).