4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

C22H19F3N4O3S — CID 71730414

IUPAC4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1
InChIInChI=1S/C22H19F3N4O3S/c1-14(2)32-15-8-10-16(11-9-15)33(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18/h3-14,28H,1-2H3
InChIKeyHUHNKSIOENDROI-UHFFFAOYSA-N
MW476.48 g/mol
LogP5.03
Rot. Bonds6

About 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 71730414) has the molecular formula C22H19F3N4O3S and a molecular weight of 476.48 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID71730414
Molecular FormulaC22H19F3N4O3S
Molecular Weight476.48 g/mol
Exact Mass476.11
IUPAC Name4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1
InChIInChI=1S/C22H19F3N4O3S/c1-14(2)32-15-8-10-16(11-9-15)33(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18/h3-14,28H,1-2H3
InChIKeyHUHNKSIOENDROI-UHFFFAOYSA-N
XLogP5.03
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (CID 71730414) is 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is HUHNKSIOENDROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3S/c1-14(2)32-15-8-10-16(11-9-15)33(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18/h3-14,28H,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 476.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 71730414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).