N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

C22H18FN3O2S — CID 67645019

IUPACN-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nn(Cc2ccccc2)cc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H18FN3O2S/c23-19-13-11-18(12-14-19)21-16-26(15-17-7-3-1-4-8-17)24-22(21)25-29(27,28)20-9-5-2-6-10-20/h1-14,16H,15H2,(H,24,25)
InChIKeyWAUFKNOWRBBWME-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.54
Rot. Bonds6

About N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67645019) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67645019
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC NameN-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nn(Cc2ccccc2)cc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H18FN3O2S/c23-19-13-11-18(12-14-19)21-16-26(15-17-7-3-1-4-8-17)24-22(21)25-29(27,28)20-9-5-2-6-10-20/h1-14,16H,15H2,(H,24,25)
InChIKeyWAUFKNOWRBBWME-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3''-Amino-biphenyl-4-sulfonic acid (2-phenyl-2H-pyrazol-3-yl)-amide
CID 10916150
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
4-fluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17512561
3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide
CID 44607342
4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 162654976
4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide
CID 162659454
4-(4-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
CID 162664789
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
1-(Benzenesulfonyl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 972834
1-(4-Fluorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
CID 1256523
4-(4-Fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
CID 1258072
1-(Benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
CID 2986590

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (CID 67645019) is N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1nn(Cc2ccccc2)cc1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is WAUFKNOWRBBWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-19-13-11-18(12-14-19)21-16-26(15-17-7-3-1-4-8-17)24-22(21)25-29(27,28)20-9-5-2-6-10-20/h1-14,16H,15H2,(H,24,25).
What are the key properties of N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 407.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).