4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

C16H14FN3O2S — CID 19355467

IUPAC4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1-c1cn[nH]c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10-8-12(17)4-7-14(10)15-9-19-20-16(15)11-2-5-13(6-3-11)23(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22)
InChIKeyWCNKSLDFQUOLFK-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.84
Rot. Bonds3

About 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 19355467) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID19355467
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1-c1cn[nH]c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10-8-12(17)4-7-14(10)15-9-19-20-16(15)11-2-5-13(6-3-11)23(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22)
InChIKeyWCNKSLDFQUOLFK-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
(1S,8R)-13-fluoro-15-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552168
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
(1S,8R)-15-(3,4-difluorophenyl)sulfonyl-13-fluoro-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552254
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]-3,4-dimethylbenzenesulfonamide
CID 53592919
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 53622736

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 19355467) is 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is Cc1cc(F)ccc1-c1cn[nH]c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is WCNKSLDFQUOLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10-8-12(17)4-7-14(10)15-9-19-20-16(15)11-2-5-13(6-3-11)23(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
4-[4-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19355467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).