5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

C18H24ClN3O3S — CID 55731165

IUPAC5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C18H24ClN3O3S/c1-20(2)26(23,24)18-8-7-17(25-18)14-22-11-9-21(10-12-22)13-15-3-5-16(19)6-4-15/h3-8H,9-14H2,1-2H3
InChIKeyGCTXDWCKSCMFSN-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.50
Rot. Bonds6

About 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 55731165) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID55731165
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C18H24ClN3O3S/c1-20(2)26(23,24)18-8-7-17(25-18)14-22-11-9-21(10-12-22)13-15-3-5-16(19)6-4-15/h3-8H,9-14H2,1-2H3
InChIKeyGCTXDWCKSCMFSN-UHFFFAOYSA-N
XLogP2.50
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 110899350
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55853518
5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55828293
5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
CID 86776822
N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide
CID 136563223
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 94139160
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
CID 106324582
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325548
[5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62419652

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 55731165) is 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is GCTXDWCKSCMFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-20(2)26(23,24)18-8-7-17(25-18)14-22-11-9-21(10-12-22)13-15-3-5-16(19)6-4-15/h3-8H,9-14H2,1-2H3.
What are the key properties of 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 397.93 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 55731165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).