N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide

C20H10Cl2F6N2O3S — CID 25114930

IUPACN-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H10Cl2F6N2O3S/c21-11-2-5-14(16(22)8-11)18(31)30-34(32,33)12-3-6-17(29-9-12)13-4-1-10(19(23,24)25)7-15(13)20(26,27)28/h1-9H,(H,30,31)
InChIKeyIBQJBHKQFXQWNM-UHFFFAOYSA-N
MW543.27 g/mol
LogP6.21
Rot. Bonds4

About N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide

N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide (PubChem CID 25114930) has the molecular formula C20H10Cl2F6N2O3S and a molecular weight of 543.27 g/mol. Its IUPAC name is N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide
PubChem CID25114930
Molecular FormulaC20H10Cl2F6N2O3S
Molecular Weight543.27 g/mol
Exact Mass541.97
IUPAC NameN-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H10Cl2F6N2O3S/c21-11-2-5-14(16(22)8-11)18(31)30-34(32,33)12-3-6-17(29-9-12)13-4-1-10(19(23,24)25)7-15(13)20(26,27)28/h1-9H,(H,30,31)
InChIKeyIBQJBHKQFXQWNM-UHFFFAOYSA-N
XLogP6.21
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.27
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide 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 N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide (CID 25114930) is N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide is O=C(NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide?
The InChIKey is IBQJBHKQFXQWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F6N2O3S/c21-11-2-5-14(16(22)8-11)18(31)30-34(32,33)12-3-6-17(29-9-12)13-4-1-10(19(23,24)25)7-15(13)20(26,27)28/h1-9H,(H,30,31).
What are the key properties of N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide?
N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide has a molecular weight of 543.27 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]sulfonyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 25114930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).