N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide

C11H10F3N3O4S — CID 54107332

IUPACN-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)N1CC=CN1
InChIInChI=1S/C11H10F3N3O4S/c12-11(13,14)21-8-4-1-2-5-9(8)22(19,20)16-10(18)17-7-3-6-15-17/h1-6,15H,7H2,(H,16,18)
InChIKeyNERISCVRCGMZOT-UHFFFAOYSA-N
MW337.28 g/mol
LogP1.32
Rot. Bonds3

About N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide

N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide (PubChem CID 54107332) has the molecular formula C11H10F3N3O4S and a molecular weight of 337.28 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
PubChem CID54107332
Molecular FormulaC11H10F3N3O4S
Molecular Weight337.28 g/mol
Exact Mass337.03
IUPAC NameN-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)N1CC=CN1
InChIInChI=1S/C11H10F3N3O4S/c12-11(13,14)21-8-4-1-2-5-9(8)22(19,20)16-10(18)17-7-3-6-15-17/h1-6,15H,7H2,(H,16,18)
InChIKeyNERISCVRCGMZOT-UHFFFAOYSA-N
XLogP1.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide (CID 54107332) is N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)N1CC=CN1.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The InChIKey is NERISCVRCGMZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O4S/c12-11(13,14)21-8-4-1-2-5-9(8)22(19,20)16-10(18)17-7-3-6-15-17/h1-6,15H,7H2,(H,16,18).
What are the key properties of N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide has a molecular weight of 337.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 54107332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).