2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C14H12Cl2N2O2S — CID 1481079

IUPAC2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)c2ccc(Cl)cc2Cl)nc2c1CCC2
InChIInChI=1S/C14H12Cl2N2O2S/c1-8-10-3-2-4-12(10)18-14(17-8)21(19,20)13-6-5-9(15)7-11(13)16/h5-7H,2-4H2,1H3
InChIKeyKPIIEULFYUJOLJ-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.41
Rot. Bonds2

About 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 1481079) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID1481079
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC Name2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)c2ccc(Cl)cc2Cl)nc2c1CCC2
InChIInChI=1S/C14H12Cl2N2O2S/c1-8-10-3-2-4-12(10)18-14(17-8)21(19,20)13-6-5-9(15)7-11(13)16/h5-7H,2-4H2,1H3
InChIKeyKPIIEULFYUJOLJ-UHFFFAOYSA-N
XLogP3.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-Chlorobenzyl)sulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 2766487
4-methyl-2-[(4-methylphenyl)sulfonyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1481078
3-chlorophenyl 4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl sulfone
CID 1484761
2-((4-Chlorobenzyl)sulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 2766486
4-chlorophenyl 4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl sulfone
CID 1484760
2-(Benzylsulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 2766500
4-fluorophenyl 4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl sulfone
CID 1481077
4-methyl-2-{[3-(trifluoromethyl)phenyl]sulfonyl}-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1484762
2-((4-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 967348
2-(Benzenesulfonyl)-4,5-dichloro-6-methylpyrimidine
CID 20036826
2,4-Dichloro-6-(3-(methylsulfonyl)phenyl)pyrimidine
CID 59198382
4-chloro-2-(4-methanesulfonyl-phenyl)-6,7-dihydro-5H-cyclopentapyrimidine
CID 59362948

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 1481079) is 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(S(=O)(=O)c2ccc(Cl)cc2Cl)nc2c1CCC2.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is KPIIEULFYUJOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c1-8-10-3-2-4-12(10)18-14(17-8)21(19,20)13-6-5-9(15)7-11(13)16/h5-7H,2-4H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 343.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 1481079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).