4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide

C20H27F3N4O2S — CID 70653525

IUPAC4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCn2ccc(C(F)(F)F)n2)C2CCNCC2)cc1
InChIInChI=1S/C20H27F3N4O2S/c1-2-16-4-6-18(7-5-16)30(28,29)27(17-8-11-24-12-9-17)14-3-13-26-15-10-19(25-26)20(21,22)23/h4-7,10,15,17,24H,2-3,8-9,11-14H2,1H3
InChIKeyMTFPQZXGJKGLNK-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.30
Rot. Bonds8

About 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide

4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide (PubChem CID 70653525) has the molecular formula C20H27F3N4O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
PubChem CID70653525
Molecular FormulaC20H27F3N4O2S
Molecular Weight444.52 g/mol
Exact Mass444.18
IUPAC Name4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCn2ccc(C(F)(F)F)n2)C2CCNCC2)cc1
InChIInChI=1S/C20H27F3N4O2S/c1-2-16-4-6-18(7-5-16)30(28,29)27(17-8-11-24-12-9-17)14-3-13-26-15-10-19(25-26)20(21,22)23/h4-7,10,15,17,24H,2-3,8-9,11-14H2,1H3
InChIKeyMTFPQZXGJKGLNK-UHFFFAOYSA-N
XLogP3.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide (CID 70653525) is 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N(CCCn2ccc(C(F)(F)F)n2)C2CCNCC2)cc1.
What is the InChIKey of 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide?
The InChIKey is MTFPQZXGJKGLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O2S/c1-2-16-4-6-18(7-5-16)30(28,29)27(17-8-11-24-12-9-17)14-3-13-26-15-10-19(25-26)20(21,22)23/h4-7,10,15,17,24H,2-3,8-9,11-14H2,1H3.
What are the key properties of 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide?
4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide has a molecular weight of 444.52 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-piperidin-4-yl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 70653525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).