2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide

C23H21FN4O3S — CID 55779669

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESCN(CC(=O)Nc1ccnn1Cc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O3S/c1-27(32(30,31)20-11-9-19(24)10-12-20)16-23(29)26-22-13-14-25-28(22)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-14H,15-16H2,1H3,(H,26,29)
InChIKeyYMVZUEQEIDIXFD-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.48
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 55779669) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID55779669
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESCN(CC(=O)Nc1ccnn1Cc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O3S/c1-27(32(30,31)20-11-9-19(24)10-12-20)16-23(29)26-22-13-14-25-28(22)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-14H,15-16H2,1H3,(H,26,29)
InChIKeyYMVZUEQEIDIXFD-UHFFFAOYSA-N
XLogP3.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (CID 55779669) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is CN(CC(=O)Nc1ccnn1Cc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is YMVZUEQEIDIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-27(32(30,31)20-11-9-19(24)10-12-20)16-23(29)26-22-13-14-25-28(22)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-14H,15-16H2,1H3,(H,26,29).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 55779669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).