N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide

C12H12F2N4O2S — CID 91968201

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
SMILESCN(C)c1ncc(NS(=O)(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C12H12F2N4O2S/c1-18(2)12-15-6-9(7-16-12)17-21(19,20)11-4-3-8(13)5-10(11)14/h3-7,17H,1-2H3
InChIKeyXWGUETQENBJLKL-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide

N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide (PubChem CID 91968201) has the molecular formula C12H12F2N4O2S and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
PubChem CID91968201
Molecular FormulaC12H12F2N4O2S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
SMILESCN(C)c1ncc(NS(=O)(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C12H12F2N4O2S/c1-18(2)12-15-6-9(7-16-12)17-21(19,20)11-4-3-8(13)5-10(11)14/h3-7,17H,1-2H3
InChIKeyXWGUETQENBJLKL-UHFFFAOYSA-N
XLogP1.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 166200999
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 5237791

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide (CID 91968201) is N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide is CN(C)c1ncc(NS(=O)(=O)c2ccc(F)cc2F)cn1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide?
The InChIKey is XWGUETQENBJLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2S/c1-18(2)12-15-6-9(7-16-12)17-21(19,20)11-4-3-8(13)5-10(11)14/h3-7,17H,1-2H3.
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide has a molecular weight of 314.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 91968201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).