3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide

C14H15FN2O2S — CID 43257631

IUPAC3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1N
InChIInChI=1S/C14H15FN2O2S/c1-2-10-7-8-11(9-13(10)16)20(18,19)17-14-6-4-3-5-12(14)15/h3-9,17H,2,16H2,1H3
InChIKeyOPBBMLSRAOTHJX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide

3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 43257631) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID43257631
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1N
InChIInChI=1S/C14H15FN2O2S/c1-2-10-7-8-11(9-13(10)16)20(18,19)17-14-6-4-3-5-12(14)15/h3-9,17H,2,16H2,1H3
InChIKeyOPBBMLSRAOTHJX-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.77
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

3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 28718355
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 82843952
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
3-amino-4-bromo-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 115329158
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
CID 107605493
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide (CID 43257631) is 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is OPBBMLSRAOTHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-10-7-8-11(9-13(10)16)20(18,19)17-14-6-4-3-5-12(14)15/h3-9,17H,2,16H2,1H3.
What are the key properties of 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide?
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43257631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).