3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 63322099

IUPAC3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H14ClFN2O2S/c15-11-3-1-10(2-4-11)5-6-18-21(19,20)14-8-12(16)7-13(17)9-14/h1-4,7-9,18H,5-6,17H2
InChIKeyWXJITXXVNAEOSU-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.58
Rot. Bonds5

About 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide

3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide (PubChem CID 63322099) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
PubChem CID63322099
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H14ClFN2O2S/c15-11-3-1-10(2-4-11)5-6-18-21(19,20)14-8-12(16)7-13(17)9-14/h1-4,7-9,18H,5-6,17H2
InChIKeyWXJITXXVNAEOSU-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322498
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
3-amino-N-[(4-cyanophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322839
N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide
CID 18504968
3-amino-5-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 63321784
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide (CID 63322099) is 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The InChIKey is WXJITXXVNAEOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c15-11-3-1-10(2-4-11)5-6-18-21(19,20)14-8-12(16)7-13(17)9-14/h1-4,7-9,18H,5-6,17H2.
What are the key properties of 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 63322099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).