N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide

C19H14ClF3N4O2S — CID 143610521

IUPACN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide
SMILESCc1ccc(S(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(N)c2)cc1C(F)(F)F
InChIInChI=1S/C19H14ClF3N4O2S/c1-10-2-3-13(8-14(10)19(21,22)23)30(29)27-15-7-12(20)9-26-17(15)18(28)11-4-5-25-16(24)6-11/h2-9,27H,1H3,(H2,24,25)
InChIKeyWFBPOIAQDRYTDW-UHFFFAOYSA-N
MW454.86 g/mol
LogP4.41
Rot. Bonds5

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

N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide (PubChem CID 143610521) has the molecular formula C19H14ClF3N4O2S and a molecular weight of 454.86 g/mol. Its IUPAC name is N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide
PubChem CID143610521
Molecular FormulaC19H14ClF3N4O2S
Molecular Weight454.86 g/mol
Exact Mass454.05
IUPAC NameN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide
SMILESCc1ccc(S(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(N)c2)cc1C(F)(F)F
InChIInChI=1S/C19H14ClF3N4O2S/c1-10-2-3-13(8-14(10)19(21,22)23)30(29)27-15-7-12(20)9-26-17(15)18(28)11-4-5-25-16(24)6-11/h2-9,27H,1H3,(H2,24,25)
InChIKeyWFBPOIAQDRYTDW-UHFFFAOYSA-N
XLogP4.41
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-2-chloro-N-phenylbenzenesulfonamide
CID 44219291
US9394307, N-(2-{1H,3aH,7aH-pyrrolo[2,3-b]pyridine-4-carbonyl}-5-chloropyridin-3-yl)-4-chloro-3-(trifluoromethyl)benzene-1-sulfonamide
CID 57870818
4-Chloro-N-[5-chloro-2-(2-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554943
4-Chloro-N-[5-chloro-2-(6-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554944
4-chloro-N-[5-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11562266
4-chloro-N-[5-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11584262
4-Chloro-n-[5-chloro-2-(pyridine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11591022
4-Chloro-N-[5-chloro-2-(Pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11612619
4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11613372
4-chloro-N-[5-chloro-2-(1-oxidopyridin-1-ium-3-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11663208
4-chloro-N-[5-chloro-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11663433
4-chloro-N-[5-chloro-2-(2-methylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11705826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide?
The IUPAC name of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide (CID 143610521) is N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide.
What is the SMILES notation for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide?
The canonical SMILES for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide is Cc1ccc(S(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(N)c2)cc1C(F)(F)F.
What is the InChIKey of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide?
The InChIKey is WFBPOIAQDRYTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2S/c1-10-2-3-13(8-14(10)19(21,22)23)30(29)27-15-7-12(20)9-26-17(15)18(28)11-4-5-25-16(24)6-11/h2-9,27H,1H3,(H2,24,25).
What are the key properties of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide?
N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide has a molecular weight of 454.86 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide is sourced from PubChem (CID 143610521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).