(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone

C22H24Cl2N2O5S — CID 55951019

IUPAC(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1oc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H24Cl2N2O5S/c1-14-20(32(29,30)26-8-2-3-9-26)13-19(31-14)22(28)25-10-6-15(7-11-25)21(27)16-4-5-17(23)18(24)12-16/h4-5,12-13,15H,2-3,6-11H2,1H3
InChIKeyWJTFOCONTFUSMC-UHFFFAOYSA-N
MW499.42 g/mol
LogP4.41
Rot. Bonds5

About (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 55951019) has the molecular formula C22H24Cl2N2O5S and a molecular weight of 499.42 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
PubChem CID55951019
Molecular FormulaC22H24Cl2N2O5S
Molecular Weight499.42 g/mol
Exact Mass498.08
IUPAC Name(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1oc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H24Cl2N2O5S/c1-14-20(32(29,30)26-8-2-3-9-26)13-19(31-14)22(28)25-10-6-15(7-11-25)21(27)16-4-5-17(23)18(24)12-16/h4-5,12-13,15H,2-3,6-11H2,1H3
InChIKeyWJTFOCONTFUSMC-UHFFFAOYSA-N
XLogP4.41
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone
CID 51123065
(2-hydroxyphenyl)-[4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 55849974
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
[4-(2,4-difluorophenoxy)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 112836234
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
CID 94796993
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623
3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256576

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone (CID 55951019) is (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone is Cc1oc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is WJTFOCONTFUSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O5S/c1-14-20(32(29,30)26-8-2-3-9-26)13-19(31-14)22(28)25-10-6-15(7-11-25)21(27)16-4-5-17(23)18(24)12-16/h4-5,12-13,15H,2-3,6-11H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 499.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55951019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).