2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C14H13ClN2O2S — CID 1484761

IUPAC2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)c2cccc(Cl)c2)nc2c1CCC2
InChIInChI=1S/C14H13ClN2O2S/c1-9-12-6-3-7-13(12)17-14(16-9)20(18,19)11-5-2-4-10(15)8-11/h2,4-5,8H,3,6-7H2,1H3
InChIKeyAZVHXRNBJVTBNS-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 1484761) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID1484761
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)c2cccc(Cl)c2)nc2c1CCC2
InChIInChI=1S/C14H13ClN2O2S/c1-9-12-6-3-7-13(12)17-14(16-9)20(18,19)11-5-2-4-10(15)8-11/h2,4-5,8H,3,6-7H2,1H3
InChIKeyAZVHXRNBJVTBNS-UHFFFAOYSA-N
XLogP2.76
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.76
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
2-[(2,4-dichlorophenyl)sulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1481079
2-((4-Chlorobenzyl)sulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 2766486
2-({2-[(4-Chlorobenzyl)sulfonyl]ethyl}sulfanyl)-4,6-dimethylpyrimidine
CID 1015202
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
2-[(4-bromophenyl)sulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1481076
4-(Benzenesulfonylmethyl)-6-chloro-2-methylsulfanyl-pyrimidine
CID 86650818
4-(4-Chlorophenyl)-2-(methanesulfonyl)-6-methylpyrimidine
CID 154585182
N-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)methyl-methyl-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
CID 162396798
2-[(2-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 966879

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 1484761) is 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(S(=O)(=O)c2cccc(Cl)c2)nc2c1CCC2.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is AZVHXRNBJVTBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-9-12-6-3-7-13(12)17-14(16-9)20(18,19)11-5-2-4-10(15)8-11/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 308.79 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 1484761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).