5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide

C22H18Cl2F3N3O4S — CID 66648866

IUPAC5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncc(Cl)cc1NCOCS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C22H18Cl2F3N3O4S/c1-30(15-5-3-2-4-6-15)21(31)20-19(9-14(23)11-28-20)29-12-34-13-35(32,33)16-7-8-18(24)17(10-16)22(25,26)27/h2-11,29H,12-13H2,1H3
InChIKeyPQMXMWASJIFDJX-UHFFFAOYSA-N
MW548.37 g/mol
LogP5.50
Rot. Bonds8

About 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide

5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 66648866) has the molecular formula C22H18Cl2F3N3O4S and a molecular weight of 548.37 g/mol. Its IUPAC name is 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID66648866
Molecular FormulaC22H18Cl2F3N3O4S
Molecular Weight548.37 g/mol
Exact Mass547.03
IUPAC Name5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncc(Cl)cc1NCOCS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C22H18Cl2F3N3O4S/c1-30(15-5-3-2-4-6-15)21(31)20-19(9-14(23)11-28-20)29-12-34-13-35(32,33)16-7-8-18(24)17(10-16)22(25,26)27/h2-11,29H,12-13H2,1H3
InChIKeyPQMXMWASJIFDJX-UHFFFAOYSA-N
XLogP5.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.37
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;3-fluoro-N-methylaniline;methane
CID 159433012
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoic acid;methane;methyl 2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoate
CID 159754215
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
5-chloro-3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]sulfonylamino]-N-phenylpyridine-2-carboxamide
CID 143262651
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(N-methylanilino)ethyl]propanamide
CID 55447360
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
5-chloro-N-(3-methoxyphenyl)-N-methyl-3-(methylamino)pyridine-2-carboxamide
CID 143610344
4-chloro-N-[[5-chloro-2-(2-ethoxybenzoyl)-3-pyridinyl]-methoxymethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91034411

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide (CID 66648866) is 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide is CN(C(=O)c1ncc(Cl)cc1NCOCS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is PQMXMWASJIFDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3N3O4S/c1-30(15-5-3-2-4-6-15)21(31)20-19(9-14(23)11-28-20)29-12-34-13-35(32,33)16-7-8-18(24)17(10-16)22(25,26)27/h2-11,29H,12-13H2,1H3.
What are the key properties of 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 548.37 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylmethoxymethylamino]-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 66648866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).