N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide

C12H11F2N3O2S — CID 14720298

IUPACN-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cncnc1)c1ccc(F)cc1F
InChIInChI=1S/C12H11F2N3O2S/c1-20(18,19)17(7-9-5-15-8-16-6-9)12-3-2-10(13)4-11(12)14/h2-6,8H,7H2,1H3
InChIKeyPPNSDPFSQKUUMY-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.72
Rot. Bonds4

About N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide

N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide (PubChem CID 14720298) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide
PubChem CID14720298
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC NameN-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cncnc1)c1ccc(F)cc1F
InChIInChI=1S/C12H11F2N3O2S/c1-20(18,19)17(7-9-5-15-8-16-6-9)12-3-2-10(13)4-11(12)14/h2-6,8H,7H2,1H3
InChIKeyPPNSDPFSQKUUMY-UHFFFAOYSA-N
XLogP1.72
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 73352682
3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146355
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100570627
N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 57010241
3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113146418
2-amino-N-(2,4-difluorophenyl)-N-ethylethanesulfonamide
CID 28794316
N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 14720349
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113071817
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113071824
N-cyclohexyl-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156765
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113156818
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156816

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide (CID 14720298) is N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1cncnc1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide?
The InChIKey is PPNSDPFSQKUUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-20(18,19)17(7-9-5-15-8-16-6-9)12-3-2-10(13)4-11(12)14/h2-6,8H,7H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide?
N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 14720298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).