4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C22H19Cl2F3N4O3S2 — CID 11433163

IUPAC4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl2F3N4O3S2/c23-16-3-1-14(2-4-16)21(32)29-13-17-5-6-19(35-17)36(33,34)31-9-7-30(8-10-31)20-18(24)11-15(12-28-20)22(25,26)27/h1-6,11-12H,7-10,13H2,(H,29,32)
InChIKeyPQLQWHDIYXASLX-UHFFFAOYSA-N
MW579.45 g/mol
LogP4.91
Rot. Bonds6

About 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 11433163) has the molecular formula C22H19Cl2F3N4O3S2 and a molecular weight of 579.45 g/mol. Its IUPAC name is 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID11433163
Molecular FormulaC22H19Cl2F3N4O3S2
Molecular Weight579.45 g/mol
Exact Mass578.02
IUPAC Name4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl2F3N4O3S2/c23-16-3-1-14(2-4-16)21(32)29-13-17-5-6-19(35-17)36(33,34)31-9-7-30(8-10-31)20-18(24)11-15(12-28-20)22(25,26)27/h1-6,11-12H,7-10,13H2,(H,29,32)
InChIKeyPQLQWHDIYXASLX-UHFFFAOYSA-N
XLogP4.91
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide 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 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 11433163) is 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is PQLQWHDIYXASLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N4O3S2/c23-16-3-1-14(2-4-16)21(32)29-13-17-5-6-19(35-17)36(33,34)31-9-7-30(8-10-31)20-18(24)11-15(12-28-20)22(25,26)27/h1-6,11-12H,7-10,13H2,(H,29,32).
What are the key properties of 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 579.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 11433163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).