2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide

C13H11ClFNO3S — CID 115753862

IUPAC2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(O)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H11ClFNO3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-8-9-2-1-3-11(17)6-9/h1-7,16-17H,8H2
InChIKeyGFXRJHIXSSUJGV-UHFFFAOYSA-N
MW315.75 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide

2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 115753862) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID115753862
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(O)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H11ClFNO3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-8-9-2-1-3-11(17)6-9/h1-7,16-17H,8H2
InChIKeyGFXRJHIXSSUJGV-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide (CID 115753862) is 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(O)c1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is GFXRJHIXSSUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-8-9-2-1-3-11(17)6-9/h1-7,16-17H,8H2.
What are the key properties of 2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide?
2-chloro-5-fluoro-N-[(3-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-[(3-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115753862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).