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

C20H17F6N3O2S — CID 78324943

IUPAC4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCC(C)c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C20H17F6N3O2S/c1-11(2)12-3-8-16(19(21,22)23)15(9-12)17-10-18(20(24,25)26)28-29(17)13-4-6-14(7-5-13)32(27,30)31/h3-11H,1-2H3,(H2,27,30,31)
InChIKeyDQCGFYBZZMFDPB-UHFFFAOYSA-N
MW477.43 g/mol
LogP5.35
Rot. Bonds4

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

4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 78324943) has the molecular formula C20H17F6N3O2S and a molecular weight of 477.43 g/mol. Its IUPAC name is 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID78324943
Molecular FormulaC20H17F6N3O2S
Molecular Weight477.43 g/mol
Exact Mass477.09
IUPAC Name4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCC(C)c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C20H17F6N3O2S/c1-11(2)12-3-8-16(19(21,22)23)15(9-12)17-10-18(20(24,25)26)28-29(17)13-4-6-14(7-5-13)32(27,30)31/h3-11H,1-2H3,(H2,27,30,31)
InChIKeyDQCGFYBZZMFDPB-UHFFFAOYSA-N
XLogP5.35
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 78324943) is 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CC(C)c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is DQCGFYBZZMFDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N3O2S/c1-11(2)12-3-8-16(19(21,22)23)15(9-12)17-10-18(20(24,25)26)28-29(17)13-4-6-14(7-5-13)32(27,30)31/h3-11H,1-2H3,(H2,27,30,31).
What are the key properties of 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 477.43 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 78324943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).