2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride

C20H18ClF3N2O2S — CID 177345438

IUPAC2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride
SMILESCNC1CCc2c1cc(-c1ccc(F)cc1F)n2S(=O)(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C20H17F3N2O2S.ClH/c1-24-18-7-8-19-16(18)11-20(15-6-5-13(22)10-17(15)23)25(19)28(26,27)14-4-2-3-12(21)9-14;/h2-6,9-11,18,24H,7-8H2,1H3;1H
InChIKeyXISQJWCDYMKARB-UHFFFAOYSA-N
MW442.89 g/mol
LogP4.44
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride

2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride (PubChem CID 177345438) has the molecular formula C20H18ClF3N2O2S and a molecular weight of 442.89 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride
PubChem CID177345438
Molecular FormulaC20H18ClF3N2O2S
Molecular Weight442.89 g/mol
Exact Mass442.07
IUPAC Name2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride
SMILESCNC1CCc2c1cc(-c1ccc(F)cc1F)n2S(=O)(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C20H17F3N2O2S.ClH/c1-24-18-7-8-19-16(18)11-20(15-6-5-13(22)10-17(15)23)25(19)28(26,27)14-4-2-3-12(21)9-14;/h2-6,9-11,18,24H,7-8H2,1H3;1H
InChIKeyXISQJWCDYMKARB-UHFFFAOYSA-N
XLogP4.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.89
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride (CID 177345438) is 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride is CNC1CCc2c1cc(-c1ccc(F)cc1F)n2S(=O)(=O)c1cccc(F)c1.Cl.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride?
The InChIKey is XISQJWCDYMKARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S.ClH/c1-24-18-7-8-19-16(18)11-20(15-6-5-13(22)10-17(15)23)25(19)28(26,27)14-4-2-3-12(21)9-14;/h2-6,9-11,18,24H,7-8H2,1H3;1H.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride?
2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride has a molecular weight of 442.89 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride is sourced from PubChem (CID 177345438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).