N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

C16H17ClFN3O3S — CID 91455769

IUPACN-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCc1ccc(Nc2c(NS(=O)(=O)C3CC3)cc(Cl)c(=O)n2C)c(F)c1
InChIInChI=1S/C16H17ClFN3O3S/c1-9-3-6-13(12(18)7-9)19-15-14(8-11(17)16(22)21(15)2)20-25(23,24)10-4-5-10/h3,6-8,10,19-20H,4-5H2,1-2H3
InChIKeyGFKZAYVLAMOFHT-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.13
Rot. Bonds5

About N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 91455769) has the molecular formula C16H17ClFN3O3S and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
PubChem CID91455769
Molecular FormulaC16H17ClFN3O3S
Molecular Weight385.85 g/mol
Exact Mass385.07
IUPAC NameN-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCc1ccc(Nc2c(NS(=O)(=O)C3CC3)cc(Cl)c(=O)n2C)c(F)c1
InChIInChI=1S/C16H17ClFN3O3S/c1-9-3-6-13(12(18)7-9)19-15-14(8-11(17)16(22)21(15)2)20-25(23,24)10-4-5-10/h3,6-8,10,19-20H,4-5H2,1-2H3
InChIKeyGFKZAYVLAMOFHT-UHFFFAOYSA-N
XLogP3.13
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-[(cyclopropyl-methylidene-oxo-λ6-sulfanyl)amino]-6-(2,4-difluoroanilino)-1,3-dimethylpyridin-2-one
CID 163988544
N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide
CID 90047945
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 159206718
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68792846
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 68796063
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide
CID 143758056
6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 126592205
5-acetyl-4-chloro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylic acid;ethane
CID 143666924
N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide
CID 123152958

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (CID 91455769) is N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is Cc1ccc(Nc2c(NS(=O)(=O)C3CC3)cc(Cl)c(=O)n2C)c(F)c1.
What is the InChIKey of N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is GFKZAYVLAMOFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O3S/c1-9-3-6-13(12(18)7-9)19-15-14(8-11(17)16(22)21(15)2)20-25(23,24)10-4-5-10/h3,6-8,10,19-20H,4-5H2,1-2H3.
What are the key properties of N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 385.85 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 91455769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).