N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide

C14H15FN2O2S — CID 63229929

IUPACN-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-2-17(13-5-3-4-12(16)10-13)20(18,19)14-8-6-11(15)7-9-14/h3-10H,2,16H2,1H3
InChIKeyQTQXDVKORMFMEQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.62
Rot. Bonds4

About N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide

N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 63229929) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID63229929
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-2-17(13-5-3-4-12(16)10-13)20(18,19)14-8-6-11(15)7-9-14/h3-10H,2,16H2,1H3
InChIKeyQTQXDVKORMFMEQ-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.62
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

N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316
N-(3-aminophenyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 63229539
N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 63229538
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
CID 63229626
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
N-(3-aminophenyl)-N-ethylbutane-1-sulfonamide
CID 63229885
2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide
CID 62159440
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide (CID 63229929) is N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide is CCN(c1cccc(N)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is QTQXDVKORMFMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-17(13-5-3-4-12(16)10-13)20(18,19)14-8-6-11(15)7-9-14/h3-10H,2,16H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide?
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63229929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).