N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide

C13H13ClFN3O3S — CID 91650339

IUPACN-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C13H13ClFN3O3S/c1-2-18-8-9(7-16-18)5-13(19)17-22(20,21)12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5H2,1H3,(H,17,19)
InChIKeyXLENVWXAVIVZID-UHFFFAOYSA-N
MW345.78 g/mol
LogP1.74
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide

N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 91650339) has the molecular formula C13H13ClFN3O3S and a molecular weight of 345.78 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide
PubChem CID91650339
Molecular FormulaC13H13ClFN3O3S
Molecular Weight345.78 g/mol
Exact Mass345.04
IUPAC NameN-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C13H13ClFN3O3S/c1-2-18-8-9(7-16-18)5-13(19)17-22(20,21)12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5H2,1H3,(H,17,19)
InChIKeyXLENVWXAVIVZID-UHFFFAOYSA-N
XLogP1.74
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide (CID 91650339) is N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is XLENVWXAVIVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O3S/c1-2-18-8-9(7-16-18)5-13(19)17-22(20,21)12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5H2,1H3,(H,17,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide?
N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 345.78 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 91650339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).