4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C18H17F3N4O2S — CID 10740301

IUPAC4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCN(C)c1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17F3N4O2S/c1-24(2)15-6-4-3-5-14(15)16-11-17(18(19,20)21)23-25(16)12-7-9-13(10-8-12)28(22,26)27/h3-11H,1-2H3,(H2,22,26,27)
InChIKeyQSKAZCNCPOMALT-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.27
Rot. Bonds4

About 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10740301) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10740301
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCN(C)c1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17F3N4O2S/c1-24(2)15-6-4-3-5-14(15)16-11-17(18(19,20)21)23-25(16)12-7-9-13(10-8-12)28(22,26)27/h3-11H,1-2H3,(H2,22,26,27)
InChIKeyQSKAZCNCPOMALT-UHFFFAOYSA-N
XLogP3.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10740301) is 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CN(C)c1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is QSKAZCNCPOMALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-24(2)15-6-4-3-5-14(15)16-11-17(18(19,20)21)23-25(16)12-7-9-13(10-8-12)28(22,26)27/h3-11H,1-2H3,(H2,22,26,27).
What are the key properties of 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(dimethylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10740301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).