1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide

C19H23FN2O3S — CID 52511571

IUPAC1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCOc1ccccc1N1CC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN2O3S/c1-25-19-5-3-2-4-18(19)22-11-10-16(13-22)12-21-26(23,24)14-15-6-8-17(20)9-7-15/h2-9,16,21H,10-14H2,1H3/t16-/m0/s1
InChIKeyBYEMXXCCMRWINL-INIZCTEOSA-N
MW378.47 g/mol
LogP2.78
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 52511571) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID52511571
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCOc1ccccc1N1CC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN2O3S/c1-25-19-5-3-2-4-18(19)22-11-10-16(13-22)12-21-26(23,24)14-15-6-8-17(20)9-7-15/h2-9,16,21H,10-14H2,1H3/t16-/m0/s1
InChIKeyBYEMXXCCMRWINL-INIZCTEOSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5,6-pentafluoro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 97237947
1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640715
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111231018
2-(difluoromethylsulfonyl)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]aniline
CID 133300539
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 95141065
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
4-(2-fluorobenzoyl)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 86876609
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
1-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111420847
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119870926
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
CID 133409978

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide (CID 52511571) is 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide is COc1ccccc1N1CC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is BYEMXXCCMRWINL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-25-19-5-3-2-4-18(19)22-11-10-16(13-22)12-21-26(23,24)14-15-6-8-17(20)9-7-15/h2-9,16,21H,10-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 2.78, 7 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)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 52511571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).