4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C24H21Cl2F3N2O4S — CID 58268248

IUPAC4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCc1ccccc1C(=O)c1nc(C)c(Cl)cc1N(COC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H21Cl2F3N2O4S/c1-4-15-7-5-6-8-17(15)23(32)22-21(12-20(26)14(2)30-22)31(13-35-3)36(33,34)16-9-10-19(25)18(11-16)24(27,28)29/h5-12H,4,13H2,1-3H3
InChIKeyPJRSTOOKGPOAHO-UHFFFAOYSA-N
MW561.41 g/mol
LogP6.31
Rot. Bonds8

About 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 58268248) has the molecular formula C24H21Cl2F3N2O4S and a molecular weight of 561.41 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID58268248
Molecular FormulaC24H21Cl2F3N2O4S
Molecular Weight561.41 g/mol
Exact Mass560.06
IUPAC Name4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCc1ccccc1C(=O)c1nc(C)c(Cl)cc1N(COC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H21Cl2F3N2O4S/c1-4-15-7-5-6-8-17(15)23(32)22-21(12-20(26)14(2)30-22)31(13-35-3)36(33,34)16-9-10-19(25)18(11-16)24(27,28)29/h5-12H,4,13H2,1-3H3
InChIKeyPJRSTOOKGPOAHO-UHFFFAOYSA-N
XLogP6.31
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.41
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide 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-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 58268248) is 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is CCc1ccccc1C(=O)c1nc(C)c(Cl)cc1N(COC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PJRSTOOKGPOAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F3N2O4S/c1-4-15-7-5-6-8-17(15)23(32)22-21(12-20(26)14(2)30-22)31(13-35-3)36(33,34)16-9-10-19(25)18(11-16)24(27,28)29/h5-12H,4,13H2,1-3H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 561.41 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 58268248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).