3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C15H17FN2O2S — CID 43258739

IUPAC3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1N
InChIInChI=1S/C15H17FN2O2S/c1-2-12-6-7-14(9-15(12)17)21(19,20)18-10-11-4-3-5-13(16)8-11/h3-9,18H,2,10,17H2,1H3
InChIKeyIUQYHCHQGBQQIR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.45
Rot. Bonds5

About 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide

3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 43258739) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID43258739
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1N
InChIInChI=1S/C15H17FN2O2S/c1-2-12-6-7-14(9-15(12)17)21(19,20)18-10-11-4-3-5-13(16)8-11/h3-9,18H,2,10,17H2,1H3
InChIKeyIUQYHCHQGBQQIR-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
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

3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43256679
N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332122
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
N-[(3-fluorophenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 46406821
4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43662811
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
4-bromo-N-[(3-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 98000551
3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899207

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 43258739) is 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is IUQYHCHQGBQQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-12-6-7-14(9-15(12)17)21(19,20)18-10-11-4-3-5-13(16)8-11/h3-9,18H,2,10,17H2,1H3.
What are the key properties of 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 43258739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).