(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine

C16H14ClF2NO2S — CID 51856127

IUPAC(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H14ClF2NO2S/c17-14-10-13(6-7-15(14)19)23(21,22)20-8-2-5-16(20)11-3-1-4-12(18)9-11/h1,3-4,6-7,9-10,16H,2,5,8H2/t16-/m0/s1
InChIKeyYLLPYNAMKXRALN-INIZCTEOSA-N
MW357.81 g/mol
LogP4.14
Rot. Bonds3

About (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine

(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine (PubChem CID 51856127) has the molecular formula C16H14ClF2NO2S and a molecular weight of 357.81 g/mol. Its IUPAC name is (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
PubChem CID51856127
Molecular FormulaC16H14ClF2NO2S
Molecular Weight357.81 g/mol
Exact Mass357.04
IUPAC Name(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H14ClF2NO2S/c17-14-10-13(6-7-15(14)19)23(21,22)20-8-2-5-16(20)11-3-1-4-12(18)9-11/h1,3-4,6-7,9-10,16H,2,5,8H2/t16-/m0/s1
InChIKeyYLLPYNAMKXRALN-INIZCTEOSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95079122
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630
2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 53096212
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
(2S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 95078943
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130
(2S)-2-(3-fluorophenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 95078984
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
CID 126795936
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51855580
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 51855807

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine?
The IUPAC name of (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine (CID 51856127) is (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine?
The canonical SMILES for (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1cccc(F)c1.
What is the InChIKey of (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine?
The InChIKey is YLLPYNAMKXRALN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14ClF2NO2S/c17-14-10-13(6-7-15(14)19)23(21,22)20-8-2-5-16(20)11-3-1-4-12(18)9-11/h1,3-4,6-7,9-10,16H,2,5,8H2/t16-/m0/s1.
What are the key properties of (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine?
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine has a molecular weight of 357.81 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine is sourced from PubChem (CID 51856127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).