N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C16H12F3N3O2S — CID 8844344

IUPACN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)12-7-8-15(22-10-4-9-20-22)14(11-12)21-25(23,24)13-5-2-1-3-6-13/h1-11,21H
InChIKeyOMVKNNIPPDBGNR-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.69
Rot. Bonds4

About N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 8844344) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID8844344
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)12-7-8-15(22-10-4-9-20-22)14(11-12)21-25(23,24)13-5-2-1-3-6-13/h1-11,21H
InChIKeyOMVKNNIPPDBGNR-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 8844344) is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1.
What is the InChIKey of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is OMVKNNIPPDBGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)12-7-8-15(22-10-4-9-20-22)14(11-12)21-25(23,24)13-5-2-1-3-6-13/h1-11,21H.
What are the key properties of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8844344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).