N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide

C11H11ClFN3O3S — CID 54564939

IUPACN-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide
SMILESCC1=CCN(C(=O)NS(=O)(=O)c2ccc(F)cc2Cl)N1
InChIInChI=1S/C11H11ClFN3O3S/c1-7-4-5-16(14-7)11(17)15-20(18,19)10-3-2-8(13)6-9(10)12/h2-4,6,14H,5H2,1H3,(H,15,17)
InChIKeyZTDGAFRQVJDEGI-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.60
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide

N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide (PubChem CID 54564939) has the molecular formula C11H11ClFN3O3S and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide
PubChem CID54564939
Molecular FormulaC11H11ClFN3O3S
Molecular Weight319.75 g/mol
Exact Mass319.02
IUPAC NameN-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide
SMILESCC1=CCN(C(=O)NS(=O)(=O)c2ccc(F)cc2Cl)N1
InChIInChI=1S/C11H11ClFN3O3S/c1-7-4-5-16(14-7)11(17)15-20(18,19)10-3-2-8(13)6-9(10)12/h2-4,6,14H,5H2,1H3,(H,15,17)
InChIKeyZTDGAFRQVJDEGI-UHFFFAOYSA-N
XLogP1.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide (CID 54564939) is N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide is CC1=CCN(C(=O)NS(=O)(=O)c2ccc(F)cc2Cl)N1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide?
The InChIKey is ZTDGAFRQVJDEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O3S/c1-7-4-5-16(14-7)11(17)15-20(18,19)10-3-2-8(13)6-9(10)12/h2-4,6,14H,5H2,1H3,(H,15,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide?
N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-1,3-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 54564939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).