N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C19H18F3N3O3S2 — CID 2814752

IUPACN-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C19H18F3N3O3S2/c20-19(21,22)17-12-15(23-28-17)16-8-9-18(29-16)30(26,27)24-13-4-6-14(7-5-13)25-10-2-1-3-11-25/h4-9,12,24H,1-3,10-11H2
InChIKeyNJPUGTGMZPYGPF-UHFFFAOYSA-N
MW457.50 g/mol
LogP5.21
Rot. Bonds5

About N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 2814752) has the molecular formula C19H18F3N3O3S2 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID2814752
Molecular FormulaC19H18F3N3O3S2
Molecular Weight457.50 g/mol
Exact Mass457.07
IUPAC NameN-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C19H18F3N3O3S2/c20-19(21,22)17-12-15(23-28-17)16-8-9-18(29-16)30(26,27)24-13-4-6-14(7-5-13)25-10-2-1-3-11-25/h4-9,12,24H,1-3,10-11H2
InChIKeyNJPUGTGMZPYGPF-UHFFFAOYSA-N
XLogP5.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 2814752) is N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is NJPUGTGMZPYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S2/c20-19(21,22)17-12-15(23-28-17)16-8-9-18(29-16)30(26,27)24-13-4-6-14(7-5-13)25-10-2-1-3-11-25/h4-9,12,24H,1-3,10-11H2.
What are the key properties of N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 457.50 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2814752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).