4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide

C14H12ClF2NO3S — CID 4787961

IUPAC4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccccc1F)c1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClF2NO3S/c15-10-5-6-14(12(17)9-10)22(19,20)18-7-8-21-13-4-2-1-3-11(13)16/h1-6,9,18H,7-8H2
InChIKeySYXCQJLYWZHKOH-UHFFFAOYSA-N
MW347.77 g/mol
LogP2.98
Rot. Bonds6

About 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide

4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide (PubChem CID 4787961) has the molecular formula C14H12ClF2NO3S and a molecular weight of 347.77 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
PubChem CID4787961
Molecular FormulaC14H12ClF2NO3S
Molecular Weight347.77 g/mol
Exact Mass347.02
IUPAC Name4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccccc1F)c1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClF2NO3S/c15-10-5-6-14(12(17)9-10)22(19,20)18-7-8-21-13-4-2-1-3-11(13)16/h1-6,9,18H,7-8H2
InChIKeySYXCQJLYWZHKOH-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide (CID 4787961) is 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccccc1F)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The InChIKey is SYXCQJLYWZHKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO3S/c15-10-5-6-14(12(17)9-10)22(19,20)18-7-8-21-13-4-2-1-3-11(13)16/h1-6,9,18H,7-8H2.
What are the key properties of 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide has a molecular weight of 347.77 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 4787961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).