N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

C18H16BrFN4O3S — CID 22206302

IUPACN-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Br)cc1
InChIInChI=1S/C18H16BrFN4O3S/c1-12(25)21-14-6-8-15(9-7-14)28(26,27)23-18-16(19)11-24(22-18)10-13-4-2-3-5-17(13)20/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyIMPYURYFKZDILA-UHFFFAOYSA-N
MW467.32 g/mol
LogP3.59
Rot. Bonds6

About N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 22206302) has the molecular formula C18H16BrFN4O3S and a molecular weight of 467.32 g/mol. Its IUPAC name is N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID22206302
Molecular FormulaC18H16BrFN4O3S
Molecular Weight467.32 g/mol
Exact Mass466.01
IUPAC NameN-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Br)cc1
InChIInChI=1S/C18H16BrFN4O3S/c1-12(25)21-14-6-8-15(9-7-14)28(26,27)23-18-16(19)11-24(22-18)10-13-4-2-3-5-17(13)20/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyIMPYURYFKZDILA-UHFFFAOYSA-N
XLogP3.59
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (CID 22206302) is N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Br)cc1.
What is the InChIKey of N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is IMPYURYFKZDILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O3S/c1-12(25)21-14-6-8-15(9-7-14)28(26,27)23-18-16(19)11-24(22-18)10-13-4-2-3-5-17(13)20/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 467.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22206302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).