2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine

C11H7Cl2FN2O2S — CID 57427821

IUPAC2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine
SMILESO=S(=O)(Cc1cc(Cl)nc(Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C11H7Cl2FN2O2S/c12-10-5-8(15-11(13)16-10)6-19(17,18)9-3-1-7(14)2-4-9/h1-5H,6H2
InChIKeyKZTPORGJBFSKKU-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.90
Rot. Bonds3

About 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine

2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine (PubChem CID 57427821) has the molecular formula C11H7Cl2FN2O2S and a molecular weight of 321.16 g/mol. Its IUPAC name is 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine
PubChem CID57427821
Molecular FormulaC11H7Cl2FN2O2S
Molecular Weight321.16 g/mol
Exact Mass319.96
IUPAC Name2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine
SMILESO=S(=O)(Cc1cc(Cl)nc(Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C11H7Cl2FN2O2S/c12-10-5-8(15-11(13)16-10)6-19(17,18)9-3-1-7(14)2-4-9/h1-5H,6H2
InChIKeyKZTPORGJBFSKKU-UHFFFAOYSA-N
XLogP2.90
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-((2,4-Dichlorophenyl)sulfanyl)-2-methyl-4-pyrimidinyl)methyl phenyl sulfone
CID 1479471
4-[(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 57335919
4-Chloro-2-phenyl-6-[(phenylsulfonyl)methyl]pyrimidine
CID 1471761
(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
(6-((2-Chlorophenyl)sulfanyl)-2-methyl-4-pyrimidinyl)methyl phenyl sulfone
CID 1479470
4-(2-Chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
CID 1479476
2-chloro-N-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 658851
3-chloro-N''-(4,6-dimethyl-2-pyrimidinyl)-4-fluorobenzenesulfonohydrazide
CID 8480343
4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 717511
2,5-Dichloro-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide
CID 1147617

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine?
The IUPAC name of 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine (CID 57427821) is 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine is O=S(=O)(Cc1cc(Cl)nc(Cl)n1)c1ccc(F)cc1.
What is the InChIKey of 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine?
The InChIKey is KZTPORGJBFSKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2S/c12-10-5-8(15-11(13)16-10)6-19(17,18)9-3-1-7(14)2-4-9/h1-5H,6H2.
What are the key properties of 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine?
2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine has a molecular weight of 321.16 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidine is sourced from PubChem (CID 57427821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).