2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine

C20H20ClN3O2S — CID 121476392

IUPAC2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine
SMILESCNC1CCc2c1cn(S(=O)(=O)c1cccc(Cl)c1)c2-c1ccc(C)nc1
InChIInChI=1S/C20H20ClN3O2S/c1-13-6-7-14(11-23-13)20-17-8-9-19(22-2)18(17)12-24(20)27(25,26)16-5-3-4-15(21)10-16/h3-7,10-12,19,22H,8-9H2,1-2H3
InChIKeyHPLICQBLFYJMIW-UHFFFAOYSA-N
MW401.92 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine

2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine (PubChem CID 121476392) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine
PubChem CID121476392
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine
SMILESCNC1CCc2c1cn(S(=O)(=O)c1cccc(Cl)c1)c2-c1ccc(C)nc1
InChIInChI=1S/C20H20ClN3O2S/c1-13-6-7-14(11-23-13)20-17-8-9-19(22-2)18(17)12-24(20)27(25,26)16-5-3-4-15(21)10-16/h3-7,10-12,19,22H,8-9H2,1-2H3
InChIKeyHPLICQBLFYJMIW-UHFFFAOYSA-N
XLogP3.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine (CID 121476392) is 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine is CNC1CCc2c1cn(S(=O)(=O)c1cccc(Cl)c1)c2-c1ccc(C)nc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine?
The InChIKey is HPLICQBLFYJMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-13-6-7-14(11-23-13)20-17-8-9-19(22-2)18(17)12-24(20)27(25,26)16-5-3-4-15(21)10-16/h3-7,10-12,19,22H,8-9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine?
2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine has a molecular weight of 401.92 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine is sourced from PubChem (CID 121476392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).