N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide

C21H16ClF3N4O4S — CID 90927573

IUPACN-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C21H16ClF3N4O4S/c1-11-3-4-15(9-16(11)21(23,24)25)34(32,33)29-17-8-14(22)10-27-19(17)20(31)13-5-6-26-18(7-13)28-12(2)30/h3-10,29H,1-2H3,(H,26,28,30)
InChIKeyFRQRMKIMKBTSNS-UHFFFAOYSA-N
MW512.90 g/mol
LogP4.45
Rot. Bonds6

About N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide

N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide (PubChem CID 90927573) has the molecular formula C21H16ClF3N4O4S and a molecular weight of 512.90 g/mol. Its IUPAC name is N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide
PubChem CID90927573
Molecular FormulaC21H16ClF3N4O4S
Molecular Weight512.90 g/mol
Exact Mass512.05
IUPAC NameN-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C21H16ClF3N4O4S/c1-11-3-4-15(9-16(11)21(23,24)25)34(32,33)29-17-8-14(22)10-27-19(17)20(31)13-5-6-26-18(7-13)28-12(2)30/h3-10,29H,1-2H3,(H,26,28,30)
InChIKeyFRQRMKIMKBTSNS-UHFFFAOYSA-N
XLogP4.45
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.90
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10303030
3-[(2''-Sulfamoyl-biphenyl-4-carbonyl)-amino]-pyridine-2-carboxylic acid (5-chloro-pyridin-2-yl)-amide
CID 18728139
N-(5-Chloro-pyridin-2-yl)-3-[(2''-sulfamoyl-biphenyl-4-carbonyl)-amino]-isonicotinamide
CID 18728140
5-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-2-chloro-N-phenylbenzenesulfonamide
CID 44219291
N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methylpyridin-3-yl]pyridin-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 118249144
N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methylpyridin-3-yl]pyridin-2-yl]acetamide
CID 118293545
US11377438, Example 189
CID 146525853
N-(5-Chloropyridin-2-YL)-2-(4-{[4-(2-fluorophenyl)piperazin-1-YL]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-YL)acetamide
CID 45106049
US20240417387, Example 029
CID 171775390
US20240417387, Example 027
CID 171775406
N-[1-(4-Chlorobenzenesulfonyl)piperidin-4-YL]-3-(3,4-difluorobenzamido)pyrazine-2-carboxamide
CID 46067794
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 10303029

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide (CID 90927573) is N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide?
The InChIKey is FRQRMKIMKBTSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O4S/c1-11-3-4-15(9-16(11)21(23,24)25)34(32,33)29-17-8-14(22)10-27-19(17)20(31)13-5-6-26-18(7-13)28-12(2)30/h3-10,29H,1-2H3,(H,26,28,30).
What are the key properties of N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide?
N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide has a molecular weight of 512.90 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 90927573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).