1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one

C18H19ClFN3O4S — CID 78866154

IUPAC1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C18H19ClFN3O4S/c19-15-13-14(4-5-16(15)20)28(26,27)23-11-9-22(10-12-23)18(25)6-8-21-7-2-1-3-17(21)24/h1-5,7,13H,6,8-12H2
InChIKeyFEUWSHYVKZTDCO-UHFFFAOYSA-N
MW427.89 g/mol
LogP1.56
Rot. Bonds5

About 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 78866154) has the molecular formula C18H19ClFN3O4S and a molecular weight of 427.89 g/mol. Its IUPAC name is 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID78866154
Molecular FormulaC18H19ClFN3O4S
Molecular Weight427.89 g/mol
Exact Mass427.08
IUPAC Name1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C18H19ClFN3O4S/c19-15-13-14(4-5-16(15)20)28(26,27)23-11-9-22(10-12-23)18(25)6-8-21-7-2-1-3-17(21)24/h1-5,7,13H,6,8-12H2
InChIKeyFEUWSHYVKZTDCO-UHFFFAOYSA-N
XLogP1.56
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2559660
(E)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 26204807
5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 7534245
1-[2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2082035
3-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 45801168
1-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 46420983
1-[4-(3-Chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 74491217
[(2S,5R)-4-(3-chloro-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazin-1-yl]-(3H-pyrazol-5-yl)methanone
CID 148836938
(E)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 8115695
1-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylethanone
CID 8431667
1-[2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8570492
1-[2-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9166030

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one (CID 78866154) is 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is FEUWSHYVKZTDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O4S/c19-15-13-14(4-5-16(15)20)28(26,27)23-11-9-22(10-12-23)18(25)6-8-21-7-2-1-3-17(21)24/h1-5,7,13H,6,8-12H2.
What are the key properties of 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 427.89 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 78866154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).