5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

C15H17FN2O2S — CID 43256631

IUPAC5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-3-11-5-6-12(17)9-15(11)21(19,20)18-14-7-4-10(2)8-13(14)16/h4-9,18H,3,17H2,1-2H3
InChIKeyULRXIJCTBNONDC-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.08
Rot. Bonds4

About 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 43256631) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID43256631
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-3-11-5-6-12(17)9-15(11)21(19,20)18-14-7-4-10(2)8-13(14)16/h4-9,18H,3,17H2,1-2H3
InChIKeyULRXIJCTBNONDC-UHFFFAOYSA-N
XLogP3.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.08
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-N-(2,4-dichlorophenyl)-2-ethylbenzenesulfonamide
CID 43256364
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619
3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 106031091
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699520
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (CID 43256631) is 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)Nc1ccc(C)cc1F.
What is the InChIKey of 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is ULRXIJCTBNONDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-11-5-6-12(17)9-15(11)21(19,20)18-14-7-4-10(2)8-13(14)16/h4-9,18H,3,17H2,1-2H3.
What are the key properties of 5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.08, 4 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-(2-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 43256631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).