N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide

C16H14FN3O2S — CID 42345556

IUPACN-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H14FN3O2S/c1-20-11-15(16(18-20)12-5-3-2-4-6-12)23(21,22)19-14-9-7-13(17)8-10-14/h2-11,19H,1H3
InChIKeyLYHXPFXODQRJRE-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.03
Rot. Bonds4

About N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide

N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42345556) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42345556
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H14FN3O2S/c1-20-11-15(16(18-20)12-5-3-2-4-6-12)23(21,22)19-14-9-7-13(17)8-10-14/h2-11,19H,1H3
InChIKeyLYHXPFXODQRJRE-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284845
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284888
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16676255
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284861
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284864
1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
CID 42348788
N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide
CID 67647098
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide (CID 42345556) is N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(F)cc2)c(-c2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is LYHXPFXODQRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-20-11-15(16(18-20)12-5-3-2-4-6-12)23(21,22)19-14-9-7-13(17)8-10-14/h2-11,19H,1H3.
What are the key properties of N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42345556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).