N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

Name: N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₈ClF₃N₂O₂S — CID 120706275

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

SMILESCl.O=S(=O)(NC1CCNCC1)c1ccc(CC(F)(F)F)cc1

InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)9-10-1-3-12(4-2-10)21(19,20)18-11-5-7-17-8-6-11;/h1-4,11,17-18H,5-9H2;1H

InChIKeyAGWDWGXJDNXRON-UHFFFAOYSA-N

MW358.81 g/mol

LogP2.24

Rot. Bonds4

About N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (PubChem CID 120706275) has the molecular formula C₁₃H₁₈ClF₃N₂O₂S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name	N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
PubChem CID	120706275
Molecular Formula	C₁₃H₁₈ClF₃N₂O₂S
Molecular Weight	358.81 g/mol
Exact Mass	358.07
IUPAC Name	N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILES	Cl.O=S(=O)(NC1CCNCC1)c1ccc(CC(F)(F)F)cc1
InChI	InChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)9-10-1-3-12(4-2-10)21(19,20)18-11-5-7-17-8-6-11;/h1-4,11,17-18H,5-9H2;1H
InChIKey	AGWDWGXJDNXRON-UHFFFAOYSA-N
XLogP	2.24
TPSA	58.20 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.81
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?

The IUPAC name of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (CID 120706275) is N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.

What is the SMILES notation for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?

The canonical SMILES for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNCC1)c1ccc(CC(F)(F)F)cc1.

What is the InChIKey of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?

The InChIKey is AGWDWGXJDNXRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)9-10-1-3-12(4-2-10)21(19,20)18-11-5-7-17-8-6-11;/h1-4,11,17-18H,5-9H2;1H.

What are the key properties of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?

N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride has a molecular weight of 358.81 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120706275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 120706275 — identifiers, structure, computed properties (public domain)

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