1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

C15H20Cl2N2O2S — CID 120714288

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H20Cl2N2O2S/c16-13-4-3-12(10-14(13)17)22(20,21)19-8-5-11(6-9-19)15-2-1-7-18-15/h3-4,10-11,15,18H,1-2,5-9H2
InChIKeyCRPQITJXGQDUGN-UHFFFAOYSA-N
MW363.31 g/mol
LogP3.15
Rot. Bonds3

About 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 120714288) has the molecular formula C15H20Cl2N2O2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
PubChem CID120714288
Molecular FormulaC15H20Cl2N2O2S
Molecular Weight363.31 g/mol
Exact Mass362.06
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H20Cl2N2O2S/c16-13-4-3-12(10-14(13)17)22(20,21)19-8-5-11(6-9-19)15-2-1-7-18-15/h3-4,10-11,15,18H,1-2,5-9H2
InChIKeyCRPQITJXGQDUGN-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

(4aS,7aS)-6-(3,4-dichlorophenyl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681185
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
CID 120714302
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
CID 120714269
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714276
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
1-(4-methoxy-3-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714407
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 106315252

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (CID 120714288) is 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is CRPQITJXGQDUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2S/c16-13-4-3-12(10-14(13)17)22(20,21)19-8-5-11(6-9-19)15-2-1-7-18-15/h3-4,10-11,15,18H,1-2,5-9H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
1-(3,4-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-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 120714288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).