2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide

C18H15ClFN3O3S — CID 46975352

IUPAC2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C18H15ClFN3O3S/c19-17-7-4-14(23-10-1-8-22-23)12-16(17)18(24)21-9-11-27(25,26)15-5-2-13(20)3-6-15/h1-8,10,12H,9,11H2,(H,21,24)
InChIKeyHFMFEUIBAPITTJ-UHFFFAOYSA-N
MW407.85 g/mol
LogP2.87
Rot. Bonds6

About 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide

2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide (PubChem CID 46975352) has the molecular formula C18H15ClFN3O3S and a molecular weight of 407.85 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide
PubChem CID46975352
Molecular FormulaC18H15ClFN3O3S
Molecular Weight407.85 g/mol
Exact Mass407.05
IUPAC Name2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C18H15ClFN3O3S/c19-17-7-4-14(23-10-1-8-22-23)12-16(17)18(24)21-9-11-27(25,26)15-5-2-13(20)3-6-15/h1-8,10,12H,9,11H2,(H,21,24)
InChIKeyHFMFEUIBAPITTJ-UHFFFAOYSA-N
XLogP2.87
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide (CID 46975352) is 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide is O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc(-n2cccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide?
The InChIKey is HFMFEUIBAPITTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S/c19-17-7-4-14(23-10-1-8-22-23)12-16(17)18(24)21-9-11-27(25,26)15-5-2-13(20)3-6-15/h1-8,10,12H,9,11H2,(H,21,24).
What are the key properties of 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide?
2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide has a molecular weight of 407.85 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-fluorophenyl)sulfonylethyl]-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 46975352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).