N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide

C17H14F3N3O3S — CID 137429571

IUPACN-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C17H14F3N3O3S/c18-17(19,20)26-14-8-6-13(7-9-14)12-27(24,25)22-15-4-1-2-5-16(15)23-11-3-10-21-23/h1-11,22H,12H2
InChIKeyUEVXHNGPXNHWJT-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.71
Rot. Bonds6

About N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide

N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide (PubChem CID 137429571) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
PubChem CID137429571
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC NameN-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C17H14F3N3O3S/c18-17(19,20)26-14-8-6-13(7-9-14)12-27(24,25)22-15-4-1-2-5-16(15)23-11-3-10-21-23/h1-11,22H,12H2
InChIKeyUEVXHNGPXNHWJT-UHFFFAOYSA-N
XLogP3.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide (CID 137429571) is N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-n1cccn1.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The InChIKey is UEVXHNGPXNHWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c18-17(19,20)26-14-8-6-13(7-9-14)12-27(24,25)22-15-4-1-2-5-16(15)23-11-3-10-21-23/h1-11,22H,12H2.
What are the key properties of N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide has a molecular weight of 397.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 137429571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).