(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine

C16H18FNO6S2 — CID 99873558

IUPAC(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)Cc3ccco3)C2)cc1F
InChIInChI=1S/C16H18FNO6S2/c1-23-16-5-4-13(9-15(16)17)26(21,22)18-7-6-14(10-18)25(19,20)11-12-3-2-8-24-12/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyOOQMDACPMYHMDP-CQSZACIVSA-N
MW403.45 g/mol
LogP1.81
Rot. Bonds6

About (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine

(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine (PubChem CID 99873558) has the molecular formula C16H18FNO6S2 and a molecular weight of 403.45 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine
PubChem CID99873558
Molecular FormulaC16H18FNO6S2
Molecular Weight403.45 g/mol
Exact Mass403.06
IUPAC Name(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)Cc3ccco3)C2)cc1F
InChIInChI=1S/C16H18FNO6S2/c1-23-16-5-4-13(9-15(16)17)26(21,22)18-7-6-14(10-18)25(19,20)11-12-3-2-8-24-12/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyOOQMDACPMYHMDP-CQSZACIVSA-N
XLogP1.81
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine 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

4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
4-(furan-2-ylmethylsulfonyl)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90590716
4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine
CID 90594797
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977752
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
(2S,3aS,7aR)-5-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97388841
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207
2-[(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxyacetic acid
CID 166263448

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine?
The IUPAC name of (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine (CID 99873558) is (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine.
What is the SMILES notation for (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine?
The canonical SMILES for (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine is COc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)Cc3ccco3)C2)cc1F.
What is the InChIKey of (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine?
The InChIKey is OOQMDACPMYHMDP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FNO6S2/c1-23-16-5-4-13(9-15(16)17)26(21,22)18-7-6-14(10-18)25(19,20)11-12-3-2-8-24-12/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine?
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine has a molecular weight of 403.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine is sourced from PubChem (CID 99873558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).