2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide

C15H17FN2O2S — CID 62057429

IUPAC2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(F)c1N)c1ccccc1
InChIInChI=1S/C15H17FN2O2S/c1-11(12-6-3-2-4-7-12)10-18-21(19,20)14-9-5-8-13(16)15(14)17/h2-9,11,18H,10,17H2,1H3
InChIKeyKSHJEJLUUOXQBK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.49
Rot. Bonds5

About 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide

2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide (PubChem CID 62057429) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
PubChem CID62057429
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(F)c1N)c1ccccc1
InChIInChI=1S/C15H17FN2O2S/c1-11(12-6-3-2-4-7-12)10-18-21(19,20)14-9-5-8-13(16)15(14)17/h2-9,11,18H,10,17H2,1H3
InChIKeyKSHJEJLUUOXQBK-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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

5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
2-amino-3-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107150701
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113489
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide (CID 62057429) is 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1cccc(F)c1N)c1ccccc1.
What is the InChIKey of 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide?
The InChIKey is KSHJEJLUUOXQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11(12-6-3-2-4-7-12)10-18-21(19,20)14-9-5-8-13(16)15(14)17/h2-9,11,18H,10,17H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide?
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 62057429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).