4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide

C16H14FN3O2S — CID 177458625

IUPAC4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10-15(11-4-8-14(9-5-11)23(18,21)22)16(20-19-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H,19,20)(H2,18,21,22)
InChIKeyDELHCDOLERZQCN-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.84
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide

4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide (PubChem CID 177458625) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
PubChem CID177458625
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10-15(11-4-8-14(9-5-11)23(18,21)22)16(20-19-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H,19,20)(H2,18,21,22)
InChIKeyDELHCDOLERZQCN-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

4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
CID 18914586
4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 19698542
4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355219
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-[5-[chloro(difluoro)methyl]-4-(4-chlorophenyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355357
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19355558
3-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490724
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide
CID 166490576
4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
CID 67683899
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 10171927
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole
CID 143320499
4-[1-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355442

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide (CID 177458625) is 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide is Cc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide?
The InChIKey is DELHCDOLERZQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10-15(11-4-8-14(9-5-11)23(18,21)22)16(20-19-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-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-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 177458625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).