3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

C23H20FN3O3S — CID 174411038

IUPAC3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1ccc(-n2cccn2)cc1)Cc1cccc(O)c1
InChIInChI=1S/C23H20FN3O3S/c24-20-5-2-7-23(15-20)31(29,30)26(17-19-4-1-6-22(28)14-19)16-18-8-10-21(11-9-18)27-13-3-12-25-27/h1-15,28H,16-17H2
InChIKeyYSGLZXPRQCRRNW-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.11
Rot. Bonds7

About 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 174411038) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID174411038
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1ccc(-n2cccn2)cc1)Cc1cccc(O)c1
InChIInChI=1S/C23H20FN3O3S/c24-20-5-2-7-23(15-20)31(29,30)26(17-19-4-1-6-22(28)14-19)16-18-8-10-21(11-9-18)27-13-3-12-25-27/h1-15,28H,16-17H2
InChIKeyYSGLZXPRQCRRNW-UHFFFAOYSA-N
XLogP4.11
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (CID 174411038) is 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is O=S(=O)(c1cccc(F)c1)N(Cc1ccc(-n2cccn2)cc1)Cc1cccc(O)c1.
What is the InChIKey of 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is YSGLZXPRQCRRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c24-20-5-2-7-23(15-20)31(29,30)26(17-19-4-1-6-22(28)14-19)16-18-8-10-21(11-9-18)27-13-3-12-25-27/h1-15,28H,16-17H2.
What are the key properties of 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 437.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 174411038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).