5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

C15H14ClF3N4O4S — CID 60502978

IUPAC5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1
InChIInChI=1S/C15H14ClF3N4O4S/c16-10-7-9(15(17,18)19)8-21-14(10)22-3-5-23(6-4-22)28(25,26)12-2-1-11(27-12)13(20)24/h1-2,7-8H,3-6H2,(H2,20,24)
InChIKeyGFVZSZPWSZONFI-UHFFFAOYSA-N
MW438.82 g/mol
LogP1.96
Rot. Bonds4

About 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 60502978) has the molecular formula C15H14ClF3N4O4S and a molecular weight of 438.82 g/mol. Its IUPAC name is 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID60502978
Molecular FormulaC15H14ClF3N4O4S
Molecular Weight438.82 g/mol
Exact Mass438.04
IUPAC Name5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1
InChIInChI=1S/C15H14ClF3N4O4S/c16-10-7-9(15(17,18)19)8-21-14(10)22-3-5-23(6-4-22)28(25,26)12-2-1-11(27-12)13(20)24/h1-2,7-8H,3-6H2,(H2,20,24)
InChIKeyGFVZSZPWSZONFI-UHFFFAOYSA-N
XLogP1.96
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.82
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 60502978) is 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1.
What is the InChIKey of 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is GFVZSZPWSZONFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O4S/c16-10-7-9(15(17,18)19)8-21-14(10)22-3-5-23(6-4-22)28(25,26)12-2-1-11(27-12)13(20)24/h1-2,7-8H,3-6H2,(H2,20,24).
What are the key properties of 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 438.82 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 60502978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).