4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

C16H14FN3O2S — CID 19355311

IUPAC4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C16H14FN3O2S/c1-10-2-3-12(8-15(10)17)14-9-19-20-16(14)11-4-6-13(7-5-11)23(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22)
InChIKeyGCYZVWTYXMBEBQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.84
Rot. Bonds3

About 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 19355311) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID19355311
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C16H14FN3O2S/c1-10-2-3-12(8-15(10)17)14-9-19-20-16(14)11-4-6-13(7-5-11)23(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22)
InChIKeyGCYZVWTYXMBEBQ-UHFFFAOYSA-N
XLogP2.84
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6R)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46883804
N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56680214
3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395070
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 53325446
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
Pyrazole, 4-amino-5-(o-tolyl)-, p-toluenesulfonate
CID 24844194
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 53622736
4-(3,5-difluorophenyl)-N-(1H-indazol-5-yl)benzenesulfonamide
CID 172459384
4-[5-(2'-Methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl] benzenesulfonamide
CID 23209725
5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole
CID 2806203

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 19355311) is 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is Cc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is GCYZVWTYXMBEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10-2-3-12(8-15(10)17)14-9-19-20-16(14)11-4-6-13(7-5-11)23(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19355311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).