2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide

C18H16F2N4O3S — CID 46978236

IUPAC2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C18H16F2N4O3S/c1-21-28(26,27)14-6-7-17(20)15(8-14)18(25)23-13-9-22-24(11-13)10-12-4-2-3-5-16(12)19/h2-9,11,21H,10H2,1H3,(H,23,25)
InChIKeyKWEGMPDLRKMLTD-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.37
Rot. Bonds6

About 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide

2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide (PubChem CID 46978236) has the molecular formula C18H16F2N4O3S and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide
PubChem CID46978236
Molecular FormulaC18H16F2N4O3S
Molecular Weight406.41 g/mol
Exact Mass406.09
IUPAC Name2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C18H16F2N4O3S/c1-21-28(26,27)14-6-7-17(20)15(8-14)18(25)23-13-9-22-24(11-13)10-12-4-2-3-5-16(12)19/h2-9,11,21H,10H2,1H3,(H,23,25)
InChIKeyKWEGMPDLRKMLTD-UHFFFAOYSA-N
XLogP2.37
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N'-(benzenesulfonyl)-2-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 124132137
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298542
N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
CID 135298545
N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide
CID 135298547
N'-(benzenesulfonyl)-3-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298571
N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide
CID 135298595
N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298601
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide
CID 135298637
N'-(2-fluorophenyl)sulfonyl-3-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298640
N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide
CID 135298776

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide (CID 46978236) is 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1.
What is the InChIKey of 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide?
The InChIKey is KWEGMPDLRKMLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3S/c1-21-28(26,27)14-6-7-17(20)15(8-14)18(25)23-13-9-22-24(11-13)10-12-4-2-3-5-16(12)19/h2-9,11,21H,10H2,1H3,(H,23,25).
What are the key properties of 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide?
2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide has a molecular weight of 406.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 46978236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).