N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

C23H18F2N4O2S — CID 2476139

IUPACN'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESCc1cc(NC(=NS(=O)(=O)c2cc(F)ccc2F)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18F2N4O2S/c1-16-14-22(29(27-16)19-10-6-3-7-11-19)26-23(17-8-4-2-5-9-17)28-32(30,31)21-15-18(24)12-13-20(21)25/h2-15H,1H3,(H,26,28)
InChIKeyWDIHGAVNVBVXDO-UHFFFAOYSA-N
MW452.49 g/mol
LogP4.71
Rot. Bonds5

About N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (PubChem CID 2476139) has the molecular formula C23H18F2N4O2S and a molecular weight of 452.49 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
PubChem CID2476139
Molecular FormulaC23H18F2N4O2S
Molecular Weight452.49 g/mol
Exact Mass452.11
IUPAC NameN'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESCc1cc(NC(=NS(=O)(=O)c2cc(F)ccc2F)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18F2N4O2S/c1-16-14-22(29(27-16)19-10-6-3-7-11-19)26-23(17-8-4-2-5-9-17)28-32(30,31)21-15-18(24)12-13-20(21)25/h2-15H,1H3,(H,26,28)
InChIKeyWDIHGAVNVBVXDO-UHFFFAOYSA-N
XLogP4.71
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55480734
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
1-[(2-fluorophenyl)methyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 71084765
N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 166371653
2-(3,5-difluorophenoxy)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 53384949
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 167852846
5-(4-chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 15988870
2-bromo-N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 78835917

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (CID 2476139) is N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is Cc1cc(NC(=NS(=O)(=O)c2cc(F)ccc2F)c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The InChIKey is WDIHGAVNVBVXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2S/c1-16-14-22(29(27-16)19-10-6-3-7-11-19)26-23(17-8-4-2-5-9-17)28-32(30,31)21-15-18(24)12-13-20(21)25/h2-15H,1H3,(H,26,28).
What are the key properties of N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide has a molecular weight of 452.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 2476139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).