1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one

C17H19ClN2O4S — CID 17459924

IUPAC1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN2O4S/c18-14-3-1-5-16(13-14)25(22,23)20-10-8-19(9-11-20)17(21)7-6-15-4-2-12-24-15/h1-5,12-13H,6-11H2
InChIKeySSRSZHXAQJTALD-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.40
Rot. Bonds5

About 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one

1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 17459924) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID17459924
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN2O4S/c18-14-3-1-5-16(13-14)25(22,23)20-10-8-19(9-11-20)17(21)7-6-15-4-2-12-24-15/h1-5,12-13H,6-11H2
InChIKeySSRSZHXAQJTALD-UHFFFAOYSA-N
XLogP2.40
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 24517548
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422603
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 8639300
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55338572
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
CID 78812589
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-propylsulfanylethanone
CID 55822268
[5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea
CID 9327013
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-5-oxopentanamide
CID 56520724
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41331628
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 26204806
3-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9326996

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one (CID 17459924) is 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is SSRSZHXAQJTALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c18-14-3-1-5-16(13-14)25(22,23)20-10-8-19(9-11-20)17(21)7-6-15-4-2-12-24-15/h1-5,12-13H,6-11H2.
What are the key properties of 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 382.87 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 17459924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).