N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide

C15H16F3N3O3S — CID 90597879

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)11-1-3-14(4-2-11)25(22,23)20-12-9-19-21(10-12)13-5-7-24-8-6-13/h1-4,9-10,13,20H,5-8H2
InChIKeyJOFYAXTVZIOEEY-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.05
Rot. Bonds4

About N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90597879) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90597879
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)11-1-3-14(4-2-11)25(22,23)20-12-9-19-21(10-12)13-5-7-24-8-6-13/h1-4,9-10,13,20H,5-8H2
InChIKeyJOFYAXTVZIOEEY-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 90597879) is N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JOFYAXTVZIOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c16-15(17,18)11-1-3-14(4-2-11)25(22,23)20-12-9-19-21(10-12)13-5-7-24-8-6-13/h1-4,9-10,13,20H,5-8H2.
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90597879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).