1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine

C14H18ClFN2O2S — CID 62275091

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H18ClFN2O2S/c15-11-9-10(5-6-12(11)16)21(19,20)18-8-2-4-14(18)13-3-1-7-17-13/h5-6,9,13-14,17H,1-4,7-8H2
InChIKeyIQZYCXKXCRVSJL-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine

1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62275091) has the molecular formula C14H18ClFN2O2S and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62275091
Molecular FormulaC14H18ClFN2O2S
Molecular Weight332.83 g/mol
Exact Mass332.08
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H18ClFN2O2S/c15-11-9-10(5-6-12(11)16)21(19,20)18-8-2-4-14(18)13-3-1-7-17-13/h5-6,9,13-14,17H,1-4,7-8H2
InChIKeyIQZYCXKXCRVSJL-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 62275261
(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 82878824
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070090
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51856127
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
1-(3-chloro-4-fluorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091604
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 103100390
8-(3-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 161172745
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
CID 43361733
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine (CID 62275091) is 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1C1CCCN1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is IQZYCXKXCRVSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2S/c15-11-9-10(5-6-12(11)16)21(19,20)18-8-2-4-14(18)13-3-1-7-17-13/h5-6,9,13-14,17H,1-4,7-8H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 332.83 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62275091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).