N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide

C18H19Cl2N3O5S — CID 26869336

IUPACN-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccco1
InChIInChI=1S/C18H19Cl2N3O5S/c19-14-4-3-13(12-15(14)20)29(26,27)23-9-7-22(8-10-23)17(24)5-6-21-18(25)16-2-1-11-28-16/h1-4,11-12H,5-10H2,(H,21,25)
InChIKeyQYHBHVMZGAJWKP-UHFFFAOYSA-N
MW460.34 g/mol
LogP2.24
Rot. Bonds6

About N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide

N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 26869336) has the molecular formula C18H19Cl2N3O5S and a molecular weight of 460.34 g/mol. Its IUPAC name is N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
PubChem CID26869336
Molecular FormulaC18H19Cl2N3O5S
Molecular Weight460.34 g/mol
Exact Mass459.04
IUPAC NameN-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccco1
InChIInChI=1S/C18H19Cl2N3O5S/c19-14-4-3-13(12-15(14)20)29(26,27)23-9-7-22(8-10-23)17(24)5-6-21-18(25)16-2-1-11-28-16/h1-4,11-12H,5-10H2,(H,21,25)
InChIKeyQYHBHVMZGAJWKP-UHFFFAOYSA-N
XLogP2.24
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 55802278
N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 9239660
N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 24682710
N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 43044219
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 9496652
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 52897126
N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
CID 46457547
N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
CID 27685933
4-chloro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 17427990
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 8925068
N-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioyl]furan-2-carboxamide
CID 3717870
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide (CID 26869336) is N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide is O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccco1.
What is the InChIKey of N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is QYHBHVMZGAJWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O5S/c19-14-4-3-13(12-15(14)20)29(26,27)23-9-7-22(8-10-23)17(24)5-6-21-18(25)16-2-1-11-28-16/h1-4,11-12H,5-10H2,(H,21,25).
What are the key properties of N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 460.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 26869336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).