N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide

C21H20FN3O6S — CID 121156567

IUPACN-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C21H20FN3O6S/c22-15-4-2-6-18(12-15)32(29,30)23-16-5-1-3-14(11-16)20(27)24-9-7-17(8-10-24)25-19(26)13-31-21(25)28/h1-6,11-12,17,23H,7-10,13H2
InChIKeyGBLBNCBAFKAZFR-UHFFFAOYSA-N
MW461.47 g/mol
LogP2.21
Rot. Bonds5

About N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide

N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide (PubChem CID 121156567) has the molecular formula C21H20FN3O6S and a molecular weight of 461.47 g/mol. Its IUPAC name is N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
PubChem CID121156567
Molecular FormulaC21H20FN3O6S
Molecular Weight461.47 g/mol
Exact Mass461.11
IUPAC NameN-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C21H20FN3O6S/c22-15-4-2-6-18(12-15)32(29,30)23-16-5-1-3-14(11-16)20(27)24-9-7-17(8-10-24)25-19(26)13-31-21(25)28/h1-6,11-12,17,23H,7-10,13H2
InChIKeyGBLBNCBAFKAZFR-UHFFFAOYSA-N
XLogP2.21
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
CID 91814970
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
3-fluoro-N-[3-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 121150864
3-fluoro-4-methyl-N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 56544184
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 119375503
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710657
N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063341

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide (CID 121156567) is N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide is O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is GBLBNCBAFKAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O6S/c22-15-4-2-6-18(12-15)32(29,30)23-16-5-1-3-14(11-16)20(27)24-9-7-17(8-10-24)25-19(26)13-31-21(25)28/h1-6,11-12,17,23H,7-10,13H2.
What are the key properties of N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 461.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 121156567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).