N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

C16H12F3N3O3S — CID 47062887

IUPACN-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)25-14-8-3-4-9-15(14)26(23,24)21-12-6-1-2-7-13(12)22-11-5-10-20-22/h1-11,21H
InChIKeyQNQUAPSOHDXTLJ-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.57
Rot. Bonds5

About N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 47062887) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID47062887
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC NameN-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)25-14-8-3-4-9-15(14)26(23,24)21-12-6-1-2-7-13(12)22-11-5-10-20-22/h1-11,21H
InChIKeyQNQUAPSOHDXTLJ-UHFFFAOYSA-N
XLogP3.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71943479
N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 137429571
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 112846390
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
N-(3-tert-butyl-2-fluoro-4-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 169074985
2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55895336
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60531782

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 47062887) is N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccccc1-n1cccn1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QNQUAPSOHDXTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-16(18,19)25-14-8-3-4-9-15(14)26(23,24)21-12-6-1-2-7-13(12)22-11-5-10-20-22/h1-11,21H.
What are the key properties of N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 383.35 g/mol, XLogP of 3.57, 5 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)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 47062887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).