3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide

C32H30Cl2F6N6O9S2 — CID 159996947

IUPAC3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCOCN(c1cccnc1C(=O)N(C)OC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.CON(C)C(=O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H17ClF3N3O5S.C15H13ClF3N3O4S/c1-23(29-3)16(25)15-14(5-4-8-22-15)24(10-28-2)30(26,27)11-6-7-13(18)12(9-11)17(19,20)21;1-22(26-2)14(23)13-12(4-3-7-20-13)21-27(24,25)9-5-6-11(16)10(8-9)15(17,18)19/h4-9H,10H2,1-3H3;3-8,21H,1-2H3
InChIKeyOHQRXCPEUHRUCS-UHFFFAOYSA-N
MW891.65 g/mol
LogP6.37
Rot. Bonds12

About 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 159996947) has the molecular formula C32H30Cl2F6N6O9S2 and a molecular weight of 891.65 g/mol. Its IUPAC name is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide
PubChem CID159996947
Molecular FormulaC32H30Cl2F6N6O9S2
Molecular Weight891.65 g/mol
Exact Mass890.08
IUPAC Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCOCN(c1cccnc1C(=O)N(C)OC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.CON(C)C(=O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H17ClF3N3O5S.C15H13ClF3N3O4S/c1-23(29-3)16(25)15-14(5-4-8-22-15)24(10-28-2)30(26,27)11-6-7-13(18)12(9-11)17(19,20)21;1-22(26-2)14(23)13-12(4-3-7-20-13)21-27(24,25)9-5-6-11(16)10(8-9)15(17,18)19/h4-9H,10H2,1-3H3;3-8,21H,1-2H3
InChIKeyOHQRXCPEUHRUCS-UHFFFAOYSA-N
XLogP6.37
TPSA177.64 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.65
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157156180
4-chloro-N-(methoxymethyl)-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 126760993
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159989205
4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159735316
4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;methyl 3-aminopyridine-2-carboxylate
CID 158900667
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-methoxy-N-methyl-2-methylsulfanylbenzamide
CID 158086110
4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene
CID 157079398
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 126760895
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 46677366
N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 57382886

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide (CID 159996947) is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide is COCN(c1cccnc1C(=O)N(C)OC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.CON(C)C(=O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is OHQRXCPEUHRUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O5S.C15H13ClF3N3O4S/c1-23(29-3)16(25)15-14(5-4-8-22-15)24(10-28-2)30(26,27)11-6-7-13(18)12(9-11)17(19,20)21;1-22(26-2)14(23)13-12(4-3-7-20-13)21-27(24,25)9-5-6-11(16)10(8-9)15(17,18)19/h4-9H,10H2,1-3H3;3-8,21H,1-2H3.
What are the key properties of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide?
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 891.65 g/mol, XLogP of 6.37, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 159996947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).