4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine

C12H10Cl2N2O2S — CID 1476657

IUPAC4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(CS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-15-10(6-12(14)16-8)7-19(17,18)11-4-2-9(13)3-5-11/h2-6H,7H2,1H3
InChIKeyOOHYXGIPUTUYDG-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.07
Rot. Bonds3

About 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine

4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine (PubChem CID 1476657) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
PubChem CID1476657
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(CS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-15-10(6-12(14)16-8)7-19(17,18)11-4-2-9(13)3-5-11/h2-6H,7H2,1H3
InChIKeyOOHYXGIPUTUYDG-UHFFFAOYSA-N
XLogP3.07
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.07
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
2-[(4-Chlorophenyl)sulfonyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]acrylonitrile
CID 2819201
2-((2-Chlorophenyl)sulfonyl)-3-((2,6-dimethylpyrimidin-4-yl)amino)acrylonitrile
CID 2819205
4-[(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 57335919
acs.jmedchem.1c00409_ST.259
CID 145961183
4-Chloro-2-phenyl-6-[(phenylsulfonyl)methyl]pyrimidine
CID 1471761
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
4-(6-{[(4-Chlorophenyl)sulfinyl]methyl}-2-methyl-4-pyrimidinyl)morpholine
CID 1476661
4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide
CID 2515357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine (CID 1476657) is 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine is Cc1nc(Cl)cc(CS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine?
The InChIKey is OOHYXGIPUTUYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-8-15-10(6-12(14)16-8)7-19(17,18)11-4-2-9(13)3-5-11/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine?
4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine has a molecular weight of 317.20 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine is sourced from PubChem (CID 1476657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).