ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate

C21H19ClFN3O4S — CID 152859838

IUPACethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(Cl)cc3F)c2)ccn1
InChIInChI=1S/C21H19ClFN3O4S/c1-3-30-21(27)26-20-9-14(6-7-24-20)15-8-16(13(2)25-11-15)12-31(28,29)19-5-4-17(22)10-18(19)23/h4-11H,3,12H2,1-2H3,(H,24,26,27)
InChIKeyTXHQJYBLLUHODO-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.79
Rot. Bonds6

About ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate

ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate (PubChem CID 152859838) has the molecular formula C21H19ClFN3O4S and a molecular weight of 463.92 g/mol. Its IUPAC name is ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
PubChem CID152859838
Molecular FormulaC21H19ClFN3O4S
Molecular Weight463.92 g/mol
Exact Mass463.08
IUPAC Nameethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(Cl)cc3F)c2)ccn1
InChIInChI=1S/C21H19ClFN3O4S/c1-3-30-21(27)26-20-9-14(6-7-24-20)15-8-16(13(2)25-11-15)12-31(28,29)19-5-4-17(22)10-18(19)23/h4-11H,3,12H2,1-2H3,(H,24,26,27)
InChIKeyTXHQJYBLLUHODO-UHFFFAOYSA-N
XLogP4.79
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate
CID 157211318
N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 159402867
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-4,6-dimethyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
CID 157398495
N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 123714762
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
CID 166473361
N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785688
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
CID 158181315
N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide
CID 123562875
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate (CID 152859838) is ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate is CCOC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(Cl)cc3F)c2)ccn1.
What is the InChIKey of ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The InChIKey is TXHQJYBLLUHODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O4S/c1-3-30-21(27)26-20-9-14(6-7-24-20)15-8-16(13(2)25-11-15)12-31(28,29)19-5-4-17(22)10-18(19)23/h4-11H,3,12H2,1-2H3,(H,24,26,27).
What are the key properties of ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate has a molecular weight of 463.92 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 152859838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).