5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

C15H17FN2O2S — CID 79756333

IUPAC5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-4-2-3-5-12(11)8-9-18-21(19,20)15-10-13(17)6-7-14(15)16/h2-7,10,18H,8-9,17H2,1H3
InChIKeyBUWXOPPCMGIGIN-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.24
Rot. Bonds5

About 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 79756333) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID79756333
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-4-2-3-5-12(11)8-9-18-21(19,20)15-10-13(17)6-7-14(15)16/h2-7,10,18H,8-9,17H2,1H3
InChIKeyBUWXOPPCMGIGIN-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 43256455
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
5-amino-2-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63305909
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
5-amino-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214865
5-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392465
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 79756333) is 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1ccccc1CCNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is BUWXOPPCMGIGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-4-2-3-5-12(11)8-9-18-21(19,20)15-10-13(17)6-7-14(15)16/h2-7,10,18H,8-9,17H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.24, 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-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 79756333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).