N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide

C20H15ClF3N3O2S — CID 143262627

IUPACN-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
SMILESCc1ccnc(C)c1C(=O)c1ncc(Cl)cc1NS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15ClF3N3O2S/c1-11-6-7-25-12(2)17(11)19(28)18-16(9-14(21)10-26-18)27-30(29)15-5-3-4-13(8-15)20(22,23)24/h3-10,27H,1-2H3
InChIKeyZDTFJKGFKXCSSJ-UHFFFAOYSA-N
MW453.87 g/mol
LogP5.13
Rot. Bonds5

About N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide

N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide (PubChem CID 143262627) has the molecular formula C20H15ClF3N3O2S and a molecular weight of 453.87 g/mol. Its IUPAC name is N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
PubChem CID143262627
Molecular FormulaC20H15ClF3N3O2S
Molecular Weight453.87 g/mol
Exact Mass453.05
IUPAC NameN-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
SMILESCc1ccnc(C)c1C(=O)c1ncc(Cl)cc1NS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15ClF3N3O2S/c1-11-6-7-25-12(2)17(11)19(28)18-16(9-14(21)10-26-18)27-30(29)15-5-3-4-13(8-15)20(22,23)24/h3-10,27H,1-2H3
InChIKeyZDTFJKGFKXCSSJ-UHFFFAOYSA-N
XLogP5.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.87
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone
CID 143610377
4-chloro-N-[5-chloro-2-(2,3-dichloropyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
CID 143610452
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 79786692
3-chloro-N-[5-chloro-2-[2-methyl-6-[methyl(methylsulfonyl)amino]benzoyl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11512719
4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane
CID 143610499
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 158918228
N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide
CID 131968416
4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(1,1-difluoroethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159162034
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide?
The IUPAC name of N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide (CID 143262627) is N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide.
What is the SMILES notation for N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide?
The canonical SMILES for N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide is Cc1ccnc(C)c1C(=O)c1ncc(Cl)cc1NS(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide?
The InChIKey is ZDTFJKGFKXCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2S/c1-11-6-7-25-12(2)17(11)19(28)18-16(9-14(21)10-26-18)27-30(29)15-5-3-4-13(8-15)20(22,23)24/h3-10,27H,1-2H3.
What are the key properties of N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide?
N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide has a molecular weight of 453.87 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide is sourced from PubChem (CID 143262627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).