N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide

C15H15ClFNO3S — CID 113102631

IUPACN-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(Cl)ccc1OCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO3S/c1-11-10-12(16)2-7-15(11)21-9-8-18-22(19,20)14-5-3-13(17)4-6-14/h2-7,10,18H,8-9H2,1H3
InChIKeySADAFVBZWZMPAI-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide

N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 113102631) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide
PubChem CID113102631
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(Cl)ccc1OCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO3S/c1-11-10-12(16)2-7-15(11)21-9-8-18-22(19,20)14-5-3-13(17)4-6-14/h2-7,10,18H,8-9H2,1H3
InChIKeySADAFVBZWZMPAI-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide (CID 113102631) is N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide is Cc1cc(Cl)ccc1OCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is SADAFVBZWZMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c1-11-10-12(16)2-7-15(11)21-9-8-18-22(19,20)14-5-3-13(17)4-6-14/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113102631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).