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

C20H18FN3O6S — CID 91814970

IUPACN-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(N2C(=O)COC2=O)C1
InChIInChI=1S/C20H18FN3O6S/c21-14-4-2-6-17(10-14)31(28,29)22-15-5-1-3-13(9-15)19(26)23-8-7-16(11-23)24-18(25)12-30-20(24)27/h1-6,9-10,16,22H,7-8,11-12H2
InChIKeyVAYJNARYCCTPSA-UHFFFAOYSA-N
MW447.44 g/mol
LogP1.82
Rot. Bonds5

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

N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide (PubChem CID 91814970) has the molecular formula C20H18FN3O6S and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
PubChem CID91814970
Molecular FormulaC20H18FN3O6S
Molecular Weight447.44 g/mol
Exact Mass447.09
IUPAC NameN-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(N2C(=O)COC2=O)C1
InChIInChI=1S/C20H18FN3O6S/c21-14-4-2-6-17(10-14)31(28,29)22-15-5-1-3-13(9-15)19(26)23-8-7-16(11-23)24-18(25)12-30-20(24)27/h1-6,9-10,16,22H,7-8,11-12H2
InChIKeyVAYJNARYCCTPSA-UHFFFAOYSA-N
XLogP1.82
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
CID 121156567
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-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726928
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3,4-difluorobenzenesulfonamide
CID 119485876
3-fluoro-4-methyl-N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 56544184
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 119375503
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814981
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide (CID 91814970) is N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide is O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(N2C(=O)COC2=O)C1.
What is the InChIKey of N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is VAYJNARYCCTPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O6S/c21-14-4-2-6-17(10-14)31(28,29)22-15-5-1-3-13(9-15)19(26)23-8-7-16(11-23)24-18(25)12-30-20(24)27/h1-6,9-10,16,22H,7-8,11-12H2.
What are the key properties of N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 447.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 91814970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).