4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine

C12H10ClFN2O2S — CID 141228078

IUPAC4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(S(=O)(=O)c2ccc(Cl)cc2)c1F
InChIInChI=1S/C12H10ClFN2O2S/c1-2-10-11(14)12(16-7-15-10)19(17,18)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKeyGRGIWRYAGVQAMB-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.66
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine

4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine (PubChem CID 141228078) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine
PubChem CID141228078
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(S(=O)(=O)c2ccc(Cl)cc2)c1F
InChIInChI=1S/C12H10ClFN2O2S/c1-2-10-11(14)12(16-7-15-10)19(17,18)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKeyGRGIWRYAGVQAMB-UHFFFAOYSA-N
XLogP2.66
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Chloro-2-methyl-4-pyrimidinyl)methyl 4-chlorophenyl sulfone
CID 1476657
4-(4-Chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
CID 1479463
(6-((4-Chlorophenyl)sulfanyl)-2-methyl-4-pyrimidinyl)methyl phenyl sulfone
CID 1479464
4-chlorophenyl 4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl sulfone
CID 1484760
N-[4-[(4-chlorophenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl]-N-ethylamine
CID 1483194
4-[5-(4-Chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine
CID 2819306
4-(Benzenesulfonylmethyl)-6-chloro-2-methylsulfanyl-pyrimidine
CID 86650818
(6-Chloro-2-methylsulfanylpyrimidin-4-yl)methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 162396784
4-(Benzenesulfinylmethyl)-6-chloro-2-methylsulfanylpyrimidine
CID 162396821
2-(4-Chlorophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine
CID 24248962
4-(1-Bromoethyl)-6-[(4-chlorophenyl)thio]-5-fluoropyrimidine
CID 25184799
2,4-Dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine
CID 57427821

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine (CID 141228078) is 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine is CCc1ncnc(S(=O)(=O)c2ccc(Cl)cc2)c1F.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine?
The InChIKey is GRGIWRYAGVQAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-2-10-11(14)12(16-7-15-10)19(17,18)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine?
4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine has a molecular weight of 300.74 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 141228078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).