N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

C23H19FN4O2S — CID 6388989

IUPACN'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESCC1=NN(C(=C1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)F)/C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C23H19FN4O2S/c1-17-16-22(28(26-17)20-10-6-3-7-11-20)25-23(18-8-4-2-5-9-18)27-31(29,30)21-14-12-19(24)13-15-21/h2-16H,1H3,(H,25,27)
InChIKeyPWDNMPLAKSSQFN-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.50
Rot. Bonds6

About N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (PubChem CID 6388989) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
PubChem CID6388989
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESCC1=NN(C(=C1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)F)/C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C23H19FN4O2S/c1-17-16-22(28(26-17)20-10-6-3-7-11-20)25-23(18-8-4-2-5-9-18)27-31(29,30)21-14-12-19(24)13-15-21/h2-16H,1H3,(H,25,27)
InChIKeyPWDNMPLAKSSQFN-UHFFFAOYSA-N
XLogP5.50
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity706

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Sulfazamet
CID 13326
4-{[3-(4-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539618
4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
4-{[3-(3-methanesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539621
Anilinopyrazole deriv. 1n
CID 6539622
4-{[3-(3-benzenesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539623
4-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539627
4-{[3-(3-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539632
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539626
N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2323945
N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 2104462

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (CID 6388989) is N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is CC1=NN(C(=C1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)F)/C3=CC=CC=C3)C4=CC=CC=C4.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The InChIKey is PWDNMPLAKSSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-17-16-22(28(26-17)20-10-6-3-7-11-20)25-23(18-8-4-2-5-9-18)27-31(29,30)21-14-12-19(24)13-15-21/h2-16H,1H3,(H,25,27).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide has a molecular weight of 434.50 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 6388989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).