4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride

C19H22Cl2FNO2S — CID 141037067

IUPAC4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1Cl)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFNO2S.ClH/c20-18-3-1-2-4-19(18)25(23,24)17-10-13-22(14-11-17)12-9-15-5-7-16(21)8-6-15;/h1-8,17H,9-14H2;1H
InChIKeyVTZRYVYNSZDVFV-UHFFFAOYSA-N
MW418.36 g/mol
LogP4.38
Rot. Bonds5

About 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride

4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride (PubChem CID 141037067) has the molecular formula C19H22Cl2FNO2S and a molecular weight of 418.36 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
PubChem CID141037067
Molecular FormulaC19H22Cl2FNO2S
Molecular Weight418.36 g/mol
Exact Mass417.07
IUPAC Name4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1Cl)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFNO2S.ClH/c20-18-3-1-2-4-19(18)25(23,24)17-10-13-22(14-11-17)12-9-15-5-7-16(21)8-6-15;/h1-8,17H,9-14H2;1H
InChIKeyVTZRYVYNSZDVFV-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride
CID 141036953
8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane
CID 66786899
2-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylphenol;hydrochloride
CID 141037088
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109157
3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 59741246
1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine;hydrochloride
CID 141037006
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 24731456
1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride
CID 141037036
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
CID 141054261
4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
CID 11825520

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride (CID 141037067) is 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride is Cl.O=S(=O)(c1ccccc1Cl)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride?
The InChIKey is VTZRYVYNSZDVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2S.ClH/c20-18-3-1-2-4-19(18)25(23,24)17-10-13-22(14-11-17)12-9-15-5-7-16(21)8-6-15;/h1-8,17H,9-14H2;1H.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride?
4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride has a molecular weight of 418.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 141037067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).