[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone

C22H23Cl2N3O4S — CID 30715286

IUPAC[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H23Cl2N3O4S/c1-15-13-18(16(2)27(15)14-17-5-4-12-31-17)22(28)25-8-10-26(11-9-25)32(29,30)20-7-3-6-19(23)21(20)24/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyPTPIJLHBYHQDMC-UHFFFAOYSA-N
MW496.42 g/mol
LogP4.20
Rot. Bonds5

About [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone

[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone (PubChem CID 30715286) has the molecular formula C22H23Cl2N3O4S and a molecular weight of 496.42 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
PubChem CID30715286
Molecular FormulaC22H23Cl2N3O4S
Molecular Weight496.42 g/mol
Exact Mass495.08
IUPAC Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H23Cl2N3O4S/c1-15-13-18(16(2)27(15)14-17-5-4-12-31-17)22(28)25-8-10-26(11-9-25)32(29,30)20-7-3-6-19(23)21(20)24/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyPTPIJLHBYHQDMC-UHFFFAOYSA-N
XLogP4.20
TPSA75.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252292
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33007376
methyl 2-(4-chlorophenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]acetate
CID 43063634
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
2-(2-chlorophenoxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 7815844
(2S)-2-(4-acetylpiperazin-1-yl)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 9276152
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 4840926
(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276994
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30605699
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 71877422
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94151412

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone (CID 30715286) is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone is Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)n1Cc1ccco1.
What is the InChIKey of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The InChIKey is PTPIJLHBYHQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O4S/c1-15-13-18(16(2)27(15)14-17-5-4-12-31-17)22(28)25-8-10-26(11-9-25)32(29,30)20-7-3-6-19(23)21(20)24/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone?
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone has a molecular weight of 496.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone is sourced from PubChem (CID 30715286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).