N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C21H19F2N3O3S — CID 149427022

IUPACN-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2C)ccn1
InChIInChI=1S/C21H19F2N3O3S/c1-12(27)8-17-9-15(6-7-24-17)18-11-25-14(3)21(13(18)2)26-30(28,29)20-5-4-16(22)10-19(20)23/h4-7,9-11,26H,8H2,1-3H3
InChIKeyYUHONAUYHOBMIF-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.97
Rot. Bonds6

About N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 149427022) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID149427022
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC NameN-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2C)ccn1
InChIInChI=1S/C21H19F2N3O3S/c1-12(27)8-17-9-15(6-7-24-17)18-11-25-14(3)21(13(18)2)26-30(28,29)20-5-4-16(22)10-19(20)23/h4-7,9-11,26H,8H2,1-3H3
InChIKeyYUHONAUYHOBMIF-UHFFFAOYSA-N
XLogP3.97
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2,4-difluoro-N-[2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 161390016
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
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
CID 152861408
N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-4,6-dimethyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
CID 157398495
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
CID 91968201
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
6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-4,6-dimethyl-3-pyridinyl]-2-pyridinyl]amino]-2-methylpyridine-3-carbonitrile
CID 160507085
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 149427022) is N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2C)ccn1.
What is the InChIKey of N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is YUHONAUYHOBMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c1-12(27)8-17-9-15(6-7-24-17)18-11-25-14(3)21(13(18)2)26-30(28,29)20-5-4-16(22)10-19(20)23/h4-7,9-11,26H,8H2,1-3H3.
What are the key properties of N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 431.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 149427022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).