(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide

C21H25Cl3N2O2S — CID 46216706

IUPAC(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25Cl3N2O2S/c1-14(2)12-25-29(27,28)18-8-10-21(19-9-5-16(23)11-20(19)24)26(13-18)17-6-3-15(22)4-7-17/h3-7,9,11,14,18,21,25H,8,10,12-13H2,1-2H3/t18-,21+/m1/s1
InChIKeyQLBXZSFNHXEXCN-NQIIRXRSSA-N
MW475.87 g/mol
LogP5.93
Rot. Bonds6

About (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide

(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide (PubChem CID 46216706) has the molecular formula C21H25Cl3N2O2S and a molecular weight of 475.87 g/mol. Its IUPAC name is (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide
PubChem CID46216706
Molecular FormulaC21H25Cl3N2O2S
Molecular Weight475.87 g/mol
Exact Mass474.07
IUPAC Name(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25Cl3N2O2S/c1-14(2)12-25-29(27,28)18-8-10-21(19-9-5-16(23)11-20(19)24)26(13-18)17-6-3-15(22)4-7-17/h3-7,9,11,14,18,21,25H,8,10,12-13H2,1-2H3/t18-,21+/m1/s1
InChIKeyQLBXZSFNHXEXCN-NQIIRXRSSA-N
XLogP5.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.87
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide?
The IUPAC name of (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide (CID 46216706) is (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide?
The canonical SMILES for (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide is CC(C)CNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide?
The InChIKey is QLBXZSFNHXEXCN-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H25Cl3N2O2S/c1-14(2)12-25-29(27,28)18-8-10-21(19-9-5-16(23)11-20(19)24)26(13-18)17-6-3-15(22)4-7-17/h3-7,9,11,14,18,21,25H,8,10,12-13H2,1-2H3/t18-,21+/m1/s1.
What are the key properties of (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide?
(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide has a molecular weight of 475.87 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-sulfonamide is sourced from PubChem (CID 46216706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).