2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide

C23H20FN3O3S — CID 67645662

IUPAC2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1F
InChIInChI=1S/C23H20FN3O3S/c1-30-21-12-11-17(13-20(21)24)19-15-27(14-16-7-3-2-4-8-16)26-23(19)18-9-5-6-10-22(18)31(25,28)29/h2-13,15H,14H2,1H3,(H2,25,28,29)
InChIKeyQLXWGPFQBAONJV-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.06
Rot. Bonds6

About 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide

2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67645662) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67645662
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1F
InChIInChI=1S/C23H20FN3O3S/c1-30-21-12-11-17(13-20(21)24)19-15-27(14-16-7-3-2-4-8-16)26-23(19)18-9-5-6-10-22(18)31(25,28)29/h2-13,15H,14H2,1H3,(H2,25,28,29)
InChIKeyQLXWGPFQBAONJV-UHFFFAOYSA-N
XLogP4.06
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645020
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
2-[5-cyano-4-(3-fluoro-4-methoxyphenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
CID 67646283
2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594963
2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
CID 67654311
2-[1-(cyanomethyl)-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 67646066
1-benzyl-5-(difluoromethyl)-4-(3-fluoro-4-methoxyphenyl)pyrazole
CID 56978791
N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide
CID 23367300
4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide
CID 22505247
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
4-[5-cyano-4-(3-fluoro-4-methoxyphenyl)-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355884
(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 41209592

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide (CID 67645662) is 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide is COc1ccc(-c2cn(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1F.
What is the InChIKey of 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is QLXWGPFQBAONJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-30-21-12-11-17(13-20(21)24)19-15-27(14-16-7-3-2-4-8-16)26-23(19)18-9-5-6-10-22(18)31(25,28)29/h2-13,15H,14H2,1H3,(H2,25,28,29).
What are the key properties of 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide?
2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 437.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).