N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide

C18H19FN2O5S2 — CID 90592982

IUPACN-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C18H19FN2O5S2/c1-13-3-2-4-16(9-13)28(25,26)20-10-18(22)21-11-17(12-21)27(23,24)15-7-5-14(19)6-8-15/h2-9,17,20H,10-12H2,1H3
InChIKeyLVGTXRUGDQPAGC-UHFFFAOYSA-N
MW426.49 g/mol
LogP1.10
Rot. Bonds6

About N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide

N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide (PubChem CID 90592982) has the molecular formula C18H19FN2O5S2 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
PubChem CID90592982
Molecular FormulaC18H19FN2O5S2
Molecular Weight426.49 g/mol
Exact Mass426.07
IUPAC NameN-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C18H19FN2O5S2/c1-13-3-2-4-16(9-13)28(25,26)20-10-18(22)21-11-17(12-21)27(23,24)15-7-5-14(19)6-8-15/h2-9,17,20H,10-12H2,1H3
InChIKeyLVGTXRUGDQPAGC-UHFFFAOYSA-N
XLogP1.10
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620
N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
CID 90589626
N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 121186921
3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592591
N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide
CID 90594923
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
2-ethyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]butan-1-one
CID 90593118
(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one
CID 73168133
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide (CID 90592982) is N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide?
The InChIKey is LVGTXRUGDQPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S2/c1-13-3-2-4-16(9-13)28(25,26)20-10-18(22)21-11-17(12-21)27(23,24)15-7-5-14(19)6-8-15/h2-9,17,20H,10-12H2,1H3.
What are the key properties of N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide?
N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide has a molecular weight of 426.49 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 90592982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).