(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine

C17H17ClFNO4S2 — CID 99903355

IUPAC(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H17ClFNO4S2/c18-16-5-1-2-6-17(16)26(23,24)20-11-3-4-15(12-20)25(21,22)14-9-7-13(19)8-10-14/h1-2,5-10,15H,3-4,11-12H2/t15-/m1/s1
InChIKeyUPPHXMNBXJUDKR-OAHLLOKOSA-N
MW417.91 g/mol
LogP3.11
Rot. Bonds4

About (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine

(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 99903355) has the molecular formula C17H17ClFNO4S2 and a molecular weight of 417.91 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
PubChem CID99903355
Molecular FormulaC17H17ClFNO4S2
Molecular Weight417.91 g/mol
Exact Mass417.03
IUPAC Name(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H17ClFNO4S2/c18-16-5-1-2-6-17(16)26(23,24)20-11-3-4-15(12-20)25(21,22)14-9-7-13(19)8-10-14/h1-2,5-10,15H,3-4,11-12H2/t15-/m1/s1
InChIKeyUPPHXMNBXJUDKR-OAHLLOKOSA-N
XLogP3.11
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593256
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969009
4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110418724
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
CID 72718850
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]azepane
CID 86900548
(3R)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 104937173

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine (CID 99903355) is (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is UPPHXMNBXJUDKR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClFNO4S2/c18-16-5-1-2-6-17(16)26(23,24)20-11-3-4-15(12-20)25(21,22)14-9-7-13(19)8-10-14/h1-2,5-10,15H,3-4,11-12H2/t15-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine?
(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 417.91 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 99903355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).