1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide

C15H21FN2O3S — CID 122569208

IUPAC1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C15H21FN2O3S/c16-13-5-3-12(4-6-13)11-22(19,20)17-14-9-21-10-15(14)18-7-1-2-8-18/h3-6,14-15,17H,1-2,7-11H2/t14-,15-/m0/s1
InChIKeyLRIXMDRUUBAJJR-GJZGRUSLSA-N
MW328.41 g/mol
LogP1.11
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide

1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide (PubChem CID 122569208) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide
PubChem CID122569208
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C15H21FN2O3S/c16-13-5-3-12(4-6-13)11-22(19,20)17-14-9-21-10-15(14)18-7-1-2-8-18/h3-6,14-15,17H,1-2,7-11H2/t14-,15-/m0/s1
InChIKeyLRIXMDRUUBAJJR-GJZGRUSLSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-(phenylmethoxymethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360511
1-(4-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide
CID 17741067
1-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide
CID 17741239
N-[[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine
CID 53576288
1-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 76313982
(3R,4S)-3-(phenylmethoxymethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359881
N-[rac-(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 122566398
N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide
CID 59763302
1-(4-fluorophenyl)-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
CID 43597214
1-(4-fluorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 43598443
1-(4-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)methanesulfonamide
CID 47019499
1-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)methanesulfonamide
CID 51075608

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide (CID 122569208) is 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide?
The InChIKey is LRIXMDRUUBAJJR-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-13-5-3-12(4-6-13)11-22(19,20)17-14-9-21-10-15(14)18-7-1-2-8-18/h3-6,14-15,17H,1-2,7-11H2/t14-,15-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 122569208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).