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

C15H17FN2O2S — CID 61109845

IUPAC5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(N)ccc1F)c1ccccc1
InChIInChI=1S/C15H17FN2O2S/c1-11(12-5-3-2-4-6-12)10-18-21(19,20)15-9-13(17)7-8-14(15)16/h2-9,11,18H,10,17H2,1H3
InChIKeyNQDIMRSQUPWTHX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.49
Rot. Bonds5

About 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide

5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide (PubChem CID 61109845) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
PubChem CID61109845
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(N)ccc1F)c1ccccc1
InChIInChI=1S/C15H17FN2O2S/c1-11(12-5-3-2-4-6-12)10-18-21(19,20)15-9-13(17)7-8-14(15)16/h2-9,11,18H,10,17H2,1H3
InChIKeyNQDIMRSQUPWTHX-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-hydroxypropyl)benzenesulfonamide
CID 43498706
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520
5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179689
1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 61109652
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756333
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide (CID 61109845) is 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1cc(N)ccc1F)c1ccccc1.
What is the InChIKey of 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide?
The InChIKey is NQDIMRSQUPWTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11(12-5-3-2-4-6-12)10-18-21(19,20)15-9-13(17)7-8-14(15)16/h2-9,11,18H,10,17H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide?
5-amino-2-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 5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 61109845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).