N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide

C15H16F3N3O3S — CID 60534327

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCCO2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)13-5-1-2-6-14(13)25(22,23)20-11-8-19-21(9-11)10-12-4-3-7-24-12/h1-2,5-6,8-9,12,20H,3-4,7,10H2
InChIKeyHBSQHTGMYWPHKH-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.88
Rot. Bonds5

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 60534327) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID60534327
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCCO2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)13-5-1-2-6-14(13)25(22,23)20-11-8-19-21(9-11)10-12-4-3-7-24-12/h1-2,5-6,8-9,12,20H,3-4,7,10H2
InChIKeyHBSQHTGMYWPHKH-UHFFFAOYSA-N
XLogP2.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 60534327) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnn(CC2CCCO2)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HBSQHTGMYWPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c16-15(17,18)13-5-1-2-6-14(13)25(22,23)20-11-8-19-21(9-11)10-12-4-3-7-24-12/h1-2,5-6,8-9,12,20H,3-4,7,10H2.
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 60534327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).