1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide

C12H12FN3O2S — CID 131962997

IUPAC1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ncccn2)c(F)c1
InChIInChI=1S/C12H12FN3O2S/c1-9-3-4-10(11(13)7-9)8-19(17,18)16-12-14-5-2-6-15-12/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyXCYDGJJWJZWWII-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide

1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide (PubChem CID 131962997) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide
PubChem CID131962997
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ncccn2)c(F)c1
InChIInChI=1S/C12H12FN3O2S/c1-9-3-4-10(11(13)7-9)8-19(17,18)16-12-14-5-2-6-15-12/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyXCYDGJJWJZWWII-UHFFFAOYSA-N
XLogP1.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide
CID 167781421
1-(2-fluoro-4-methylphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]methanesulfonamide
CID 99837019
2-[(2-fluoro-4-methylphenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 122069960
N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 124625111
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
1-(2-fluoro-4-methylphenyl)-N-[2,3,6-trifluoro-4-[[3-[2-[[(5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 146528247
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803
1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 28892351
N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 86807415
N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide
CID 160737996
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide (CID 131962997) is 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2ncccn2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide?
The InChIKey is XCYDGJJWJZWWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-9-3-4-10(11(13)7-9)8-19(17,18)16-12-14-5-2-6-15-12/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide?
1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide is sourced from PubChem (CID 131962997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).