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

C13H11ClFNO3S — CID 115753842

IUPAC2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H11ClFNO3S/c14-11-6-5-10(15)7-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h1-7,16-17H,8H2
InChIKeyYGHGZBHMJDMGSZ-UHFFFAOYSA-N
MW315.75 g/mol
LogP2.66
Rot. Bonds4

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

2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 115753842) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID115753842
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H11ClFNO3S/c14-11-6-5-10(15)7-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h1-7,16-17H,8H2
InChIKeyYGHGZBHMJDMGSZ-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]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-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide (CID 115753842) is 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is YGHGZBHMJDMGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c14-11-6-5-10(15)7-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h1-7,16-17H,8H2.
What are the key properties of 2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide has a molecular weight of 315.75 g/mol, XLogP of 2.66, 4 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-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115753842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).