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

C15H17FN2O2S — CID 28548784

IUPAC3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C15H17FN2O2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-13(16)14(17)10-12/h4-10H,3,17H2,1-2H3
InChIKeyZYFNRPMAPXAMTI-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.93
Rot. Bonds4

About 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide

3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 28548784) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide
PubChem CID28548784
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C15H17FN2O2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-13(16)14(17)10-12/h4-10H,3,17H2,1-2H3
InChIKeyZYFNRPMAPXAMTI-UHFFFAOYSA-N
XLogP2.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 115329455
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
N-(3-amino-4-fluorophenyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39444309
3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 106610736
6-amino-5-chloro-N-ethyl-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 64606773
N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
CID 62101486
N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide
CID 62101650
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
CID 100530394
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001646
N-(2,4-dimethylphenyl)-N-ethyl-3-fluoro-4-methoxybenzenesulfonamide
CID 94622875
N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide
CID 39248117

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide (CID 28548784) is 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide is CCN(c1ccccc1C)S(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is ZYFNRPMAPXAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-13(16)14(17)10-12/h4-10H,3,17H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide?
3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 28548784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).