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

C14H13BrN2O2S — CID 1481076

IUPAC2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)c2ccc(Br)cc2)nc2c1CCC2
InChIInChI=1S/C14H13BrN2O2S/c1-9-12-3-2-4-13(12)17-14(16-9)20(18,19)11-7-5-10(15)6-8-11/h5-8H,2-4H2,1H3
InChIKeyXHSSFTVXSJNXAR-UHFFFAOYSA-N
MW353.24 g/mol
LogP2.87
Rot. Bonds2

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

2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 1481076) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID1481076
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)c2ccc(Br)cc2)nc2c1CCC2
InChIInChI=1S/C14H13BrN2O2S/c1-9-12-3-2-4-13(12)17-14(16-9)20(18,19)11-7-5-10(15)6-8-11/h5-8H,2-4H2,1H3
InChIKeyXHSSFTVXSJNXAR-UHFFFAOYSA-N
XLogP2.87
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 1481076) is 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(S(=O)(=O)c2ccc(Br)cc2)nc2c1CCC2.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is XHSSFTVXSJNXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-9-12-3-2-4-13(12)17-14(16-9)20(18,19)11-7-5-10(15)6-8-11/h5-8H,2-4H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 353.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 1481076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).