2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

C14H13ClFNO3S — CID 115753857

IUPAC2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H13ClFNO3S/c15-13-6-3-11(16)9-14(13)21(19,20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2
InChIKeyIGYLKYHWPSWQID-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.71
Rot. Bonds5

About 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 115753857) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID115753857
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H13ClFNO3S/c15-13-6-3-11(16)9-14(13)21(19,20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2
InChIKeyIGYLKYHWPSWQID-UHFFFAOYSA-N
XLogP2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide 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 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (CID 115753857) is 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(O)cc1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is IGYLKYHWPSWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c15-13-6-3-11(16)9-14(13)21(19,20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2.
What are the key properties of 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 115753857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).