4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O5S2 — CID 90672797

IUPAC4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H17F3N2O5S2/c1-23-9-4-6-18(7-5-9)25(21,22)10-2-3-12(24(17,19)20)11(8-10)13(14,15)16/h2-3,8-9H,4-7H2,1H3,(H2,17,19,20)
InChIKeyOUYQOBZNORPVON-UHFFFAOYSA-N
MW402.42 g/mol
LogP1.15
Rot. Bonds4

About 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide

4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 90672797) has the molecular formula C13H17F3N2O5S2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID90672797
Molecular FormulaC13H17F3N2O5S2
Molecular Weight402.42 g/mol
Exact Mass402.05
IUPAC Name4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H17F3N2O5S2/c1-23-9-4-6-18(7-5-9)25(21,22)10-2-3-12(24(17,19)20)11(8-10)13(14,15)16/h2-3,8-9H,4-7H2,1H3,(H2,17,19,20)
InChIKeyOUYQOBZNORPVON-UHFFFAOYSA-N
XLogP1.15
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide (CID 90672797) is 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide is COC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OUYQOBZNORPVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O5S2/c1-23-9-4-6-18(7-5-9)25(21,22)10-2-3-12(24(17,19)20)11(8-10)13(14,15)16/h2-3,8-9H,4-7H2,1H3,(H2,17,19,20).
What are the key properties of 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide?
4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90672797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).