1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

C15H20ClFN2O2S — CID 120714306

IUPAC1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H20ClFN2O2S/c16-13-10-12(17)3-4-15(13)22(20,21)19-8-5-11(6-9-19)14-2-1-7-18-14/h3-4,10-11,14,18H,1-2,5-9H2
InChIKeyRNMYHBKXTSNAGD-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 120714306) has the molecular formula C15H20ClFN2O2S and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
PubChem CID120714306
Molecular FormulaC15H20ClFN2O2S
Molecular Weight346.86 g/mol
Exact Mass346.09
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H20ClFN2O2S/c16-13-10-12(17)3-4-15(13)22(20,21)19-8-5-11(6-9-19)14-2-1-7-18-14/h3-4,10-11,14,18H,1-2,5-9H2
InChIKeyRNMYHBKXTSNAGD-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714276
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
CID 120714269
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
1-(2-bromo-4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714383
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
6-(4-fluoro-2-methylphenyl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680979

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (CID 120714306) is 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is O=S(=O)(c1ccc(F)cc1Cl)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is RNMYHBKXTSNAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2S/c16-13-10-12(17)3-4-15(13)22(20,21)19-8-5-11(6-9-19)14-2-1-7-18-14/h3-4,10-11,14,18H,1-2,5-9H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine has a molecular weight of 346.86 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 120714306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).