2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide

C14H15FN2O2S — CID 28514650

IUPAC2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H15FN2O2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-9-8-11(15)10-13(14)16/h3-10H,2,16H2,1H3
InChIKeyIGAYXTKNKXJNDU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.62
Rot. Bonds4

About 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide

2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide (PubChem CID 28514650) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
PubChem CID28514650
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H15FN2O2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-9-8-11(15)10-13(14)16/h3-10H,2,16H2,1H3
InChIKeyIGAYXTKNKXJNDU-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide
CID 62101650
2-amino-4-fluoro-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 43570752
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006792
N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide
CID 96566606
N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide
CID 3706329
3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 54922418
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
N-(3-amino-4-fluorophenyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39444309
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63698233

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide (CID 28514650) is 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide?
The InChIKey is IGAYXTKNKXJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-9-8-11(15)10-13(14)16/h3-10H,2,16H2,1H3.
What are the key properties of 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide?
2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 28514650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).