N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide

C6H6Cl2FN3O2S — CID 91341730

IUPACN-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C6H6Cl2FN3O2S/c1-2-15(13,14)12-5-3(9)4(7)10-6(8)11-5/h2H2,1H3,(H,10,11,12)
InChIKeyXGCLVHZLWWAYRK-UHFFFAOYSA-N
MW274.10 g/mol
LogP1.68
Rot. Bonds3

About N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide

N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide (PubChem CID 91341730) has the molecular formula C6H6Cl2FN3O2S and a molecular weight of 274.10 g/mol. Its IUPAC name is N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
PubChem CID91341730
Molecular FormulaC6H6Cl2FN3O2S
Molecular Weight274.10 g/mol
Exact Mass272.95
IUPAC NameN-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C6H6Cl2FN3O2S/c1-2-15(13,14)12-5-3(9)4(7)10-6(8)11-5/h2H2,1H3,(H,10,11,12)
InChIKeyXGCLVHZLWWAYRK-UHFFFAOYSA-N
XLogP1.68
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6-fluoro-5-methylsulfonylpyrimidine
CID 22158572
N-(2,6-dichloro-5-fluoro-pyrimidin-4-yl)-N-methyl-methanesulfonamide
CID 86624844
(4,6-Dichloro-5-fluoropyrimidin-2-yl) methanesulfonate
CID 122590224
6-Chloro-5-fluoro-2-methanesulfonylpyrimidin-4-amine
CID 129164603
(4,6-Dichloro-5-fluoropyrimidin-2-yl)methanesulfinate
CID 174763356
4,6-Dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine
CID 80550412
N-(5,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 108176423
N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 114073642
4,6-Dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine
CID 116633050
N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
CID 158630401
1-amino-N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-3-methyliminoprop-1-ene-2-sulfonamide
CID 163247472
4,6-Dichloro-2-(ethanesulfonyl)-5-fluoropyrimidine
CID 165347476

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide?
The IUPAC name of N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide (CID 91341730) is N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide?
The canonical SMILES for N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide is CCS(=O)(=O)Nc1nc(Cl)nc(Cl)c1F.
What is the InChIKey of N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide?
The InChIKey is XGCLVHZLWWAYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2FN3O2S/c1-2-15(13,14)12-5-3(9)4(7)10-6(8)11-5/h2H2,1H3,(H,10,11,12).
What are the key properties of N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide?
N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide has a molecular weight of 274.10 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 91341730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).