5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C15H17FN2O2S — CID 43256679

IUPAC5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-2-12-6-7-14(17)9-15(12)21(19,20)18-10-11-4-3-5-13(16)8-11/h3-9,18H,2,10,17H2,1H3
InChIKeyMPHUPSVFLFJXTC-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.45
Rot. Bonds5

About 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide

5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 43256679) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID43256679
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-2-12-6-7-14(17)9-15(12)21(19,20)18-10-11-4-3-5-13(16)8-11/h3-9,18H,2,10,17H2,1H3
InChIKeyMPHUPSVFLFJXTC-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-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43258739
4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 43258744
N-[(3-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 75509038
2-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970037
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
5-amino-2-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 142402108
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 43256679) is 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NCc1cccc(F)c1.
What is the InChIKey of 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is MPHUPSVFLFJXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-12-6-7-14(17)9-15(12)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 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
5-amino-2-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 5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 43256679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).