N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide

C15H16F3N3O4S — CID 71810318

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H16F3N3O4S/c16-15(17,18)25-13-3-1-2-4-14(13)26(22,23)20-11-9-19-21(10-11)12-5-7-24-8-6-12/h1-4,9-10,12,20H,5-8H2
InChIKeyFXIPUXNGFWVXCM-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71810318) has the molecular formula C15H16F3N3O4S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID71810318
Molecular FormulaC15H16F3N3O4S
Molecular Weight391.37 g/mol
Exact Mass391.08
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H16F3N3O4S/c16-15(17,18)25-13-3-1-2-4-14(13)26(22,23)20-11-9-19-21(10-11)12-5-7-24-8-6-12/h1-4,9-10,12,20H,5-8H2
InChIKeyFXIPUXNGFWVXCM-UHFFFAOYSA-N
XLogP2.93
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide (CID 71810318) is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FXIPUXNGFWVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S/c16-15(17,18)25-13-3-1-2-4-14(13)26(22,23)20-11-9-19-21(10-11)12-5-7-24-8-6-12/h1-4,9-10,12,20H,5-8H2.
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 391.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71810318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).