N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide

C15H15FN2O4S — CID 136514815

IUPACN-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(F)cc1CS(C)(=O)=O
InChIInChI=1S/C15H15FN2O4S/c1-22-15-12(4-3-7-17-15)14(19)18-13-6-5-11(16)8-10(13)9-23(2,20)21/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYBBGNAMPYXLMEB-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.03
Rot. Bonds5

About N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide

N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 136514815) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID136514815
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC NameN-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(F)cc1CS(C)(=O)=O
InChIInChI=1S/C15H15FN2O4S/c1-22-15-12(4-3-7-17-15)14(19)18-13-6-5-11(16)8-10(13)9-23(2,20)21/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYBBGNAMPYXLMEB-UHFFFAOYSA-N
XLogP2.03
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
N-[2-(hydroxymethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61497876
N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 62873976
3-fluoro-N-(2-methoxy-3-pyridinyl)benzamide
CID 47038518
N-(3-fluoro-2-iodophenyl)-2-methoxypyridine-3-carboxamide
CID 113340929
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
CID 43706604
2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 39977662
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
CID 52807858
N-(3-acetamido-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 33241731
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide (CID 136514815) is N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccc(F)cc1CS(C)(=O)=O.
What is the InChIKey of N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is YBBGNAMPYXLMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-22-15-12(4-3-7-17-15)14(19)18-13-6-5-11(16)8-10(13)9-23(2,20)21/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide?
N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 136514815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).