4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine

C18H15ClN2O2S2 — CID 1479470

IUPAC4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine
SMILESCc1nc(CS(=O)(=O)c2ccccc2)cc(Sc2ccccc2Cl)n1
InChIInChI=1S/C18H15ClN2O2S2/c1-13-20-14(12-25(22,23)15-7-3-2-4-8-15)11-18(21-13)24-17-10-6-5-9-16(17)19/h2-11H,12H2,1H3
InChIKeyDNPPDKIBYATNPB-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.56
Rot. Bonds5

About 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine

4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine (PubChem CID 1479470) has the molecular formula C18H15ClN2O2S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine
PubChem CID1479470
Molecular FormulaC18H15ClN2O2S2
Molecular Weight390.92 g/mol
Exact Mass390.03
IUPAC Name4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine
SMILESCc1nc(CS(=O)(=O)c2ccccc2)cc(Sc2ccccc2Cl)n1
InChIInChI=1S/C18H15ClN2O2S2/c1-13-20-14(12-25(22,23)15-7-3-2-4-8-15)11-18(21-13)24-17-10-6-5-9-16(17)19/h2-11H,12H2,1H3
InChIKeyDNPPDKIBYATNPB-UHFFFAOYSA-N
XLogP4.56
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

{6-[(4-Chlorophenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}methyl phenyl sulfone
CID 2767411
(6-((2,4-Dichlorophenyl)sulfanyl)-2-methyl-4-pyrimidinyl)methyl phenyl sulfone
CID 1479471
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
4-(2-Chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
CID 1479476
4-(Methylsulfanyl)-2-phenyl-6-[(phenylsulfonyl)methyl]pyrimidine
CID 1471766
2-chloro-N-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 658851
4-chloro-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
CID 2913649
2-({2-[(4-Chlorobenzyl)sulfonyl]ethyl}sulfanyl)-4,6-dimethylpyrimidine
CID 1015202
4-(Benzenesulfonylmethyl)-6-chloro-2-methylsulfanyl-pyrimidine
CID 86650818

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine?
The IUPAC name of 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine (CID 1479470) is 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine?
The canonical SMILES for 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine is Cc1nc(CS(=O)(=O)c2ccccc2)cc(Sc2ccccc2Cl)n1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine?
The InChIKey is DNPPDKIBYATNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S2/c1-13-20-14(12-25(22,23)15-7-3-2-4-8-15)11-18(21-13)24-17-10-6-5-9-16(17)19/h2-11H,12H2,1H3.
What are the key properties of 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine?
4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine has a molecular weight of 390.92 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-6-(2-chlorophenyl)sulfanyl-2-methylpyrimidine is sourced from PubChem (CID 1479470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).