N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C18H21F3N2O2S2 — CID 71787117

IUPACN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H21F3N2O2S2/c19-18(20,21)15-3-5-16(6-4-15)27(24,25)22-9-12-23-10-7-14(8-11-23)17-2-1-13-26-17/h1-6,13-14,22H,7-12H2
InChIKeyHOGZQUINEYNNQX-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.92
Rot. Bonds6

About N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 71787117) has the molecular formula C18H21F3N2O2S2 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID71787117
Molecular FormulaC18H21F3N2O2S2
Molecular Weight418.51 g/mol
Exact Mass418.10
IUPAC NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H21F3N2O2S2/c19-18(20,21)15-3-5-16(6-4-15)27(24,25)22-9-12-23-10-7-14(8-11-23)17-2-1-13-26-17/h1-6,13-14,22H,7-12H2
InChIKeyHOGZQUINEYNNQX-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 71787117) is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HOGZQUINEYNNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2S2/c19-18(20,21)15-3-5-16(6-4-15)27(24,25)22-9-12-23-10-7-14(8-11-23)17-2-1-13-26-17/h1-6,13-14,22H,7-12H2.
What are the key properties of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 418.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71787117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).