[4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone

C18H20FN3O4S — CID 167801103

IUPAC[4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOc1ncccc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O4S/c1-2-26-17-16(4-3-9-20-17)27(24,25)22-12-10-21(11-13-22)18(23)14-5-7-15(19)8-6-14/h3-9H,2,10-13H2,1H3
InChIKeyBVGFPCNJHQUXGW-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.77
Rot. Bonds5

About [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone

[4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 167801103) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID167801103
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name[4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOc1ncccc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O4S/c1-2-26-17-16(4-3-9-20-17)27(24,25)22-12-10-21(11-13-22)18(23)14-5-7-15(19)8-6-14/h3-9H,2,10-13H2,1H3
InChIKeyBVGFPCNJHQUXGW-UHFFFAOYSA-N
XLogP1.77
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822354
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30798513
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 27676789
(4-ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone;oxalic acid
CID 171154784
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24679940
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone (CID 167801103) is [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone is CCOc1ncccc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is BVGFPCNJHQUXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-2-26-17-16(4-3-9-20-17)27(24,25)22-12-10-21(11-13-22)18(23)14-5-7-15(19)8-6-14/h3-9H,2,10-13H2,1H3.
What are the key properties of [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 393.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 167801103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).