1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

C15H20Cl2N2O2S — CID 120714118

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H20Cl2N2O2S/c16-12-3-4-13(17)15(10-12)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
InChIKeyWVQHHCDOFWJVSI-UHFFFAOYSA-N
MW363.31 g/mol
LogP3.15
Rot. Bonds3

About 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 120714118) has the molecular formula C15H20Cl2N2O2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
PubChem CID120714118
Molecular FormulaC15H20Cl2N2O2S
Molecular Weight363.31 g/mol
Exact Mass362.06
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H20Cl2N2O2S/c16-12-3-4-13(17)15(10-12)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
InChIKeyWVQHHCDOFWJVSI-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
CID 120714269
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714276
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829
3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)-4-chlorobenzonitrile
CID 102680913
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714214
1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714166
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
6-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681021

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (CID 120714118) is 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is WVQHHCDOFWJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2S/c16-12-3-4-13(17)15(10-12)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-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine has a molecular weight of 363.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 120714118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).