N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide

C21H23Cl3N2O2S — CID 46229828

IUPACN-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1
InChIInChI=1S/C21H23Cl3N2O2S/c22-15-2-5-17(6-3-15)26-13-14(12-25-29(27,28)18-7-8-18)1-10-21(26)19-9-4-16(23)11-20(19)24/h2-6,9,11,14,18,21,25H,1,7-8,10,12-13H2/t14-,21-/m0/s1
InChIKeyIPPURWIAVHOVPQ-QKKBWIMNSA-N
MW473.85 g/mol
LogP5.69
Rot. Bonds6

About N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide

N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 46229828) has the molecular formula C21H23Cl3N2O2S and a molecular weight of 473.85 g/mol. Its IUPAC name is N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID46229828
Molecular FormulaC21H23Cl3N2O2S
Molecular Weight473.85 g/mol
Exact Mass472.05
IUPAC NameN-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1
InChIInChI=1S/C21H23Cl3N2O2S/c22-15-2-5-17(6-3-15)26-13-14(12-25-29(27,28)18-7-8-18)1-10-21(26)19-9-4-16(23)11-20(19)24/h2-6,9,11,14,18,21,25H,1,7-8,10,12-13H2/t14-,21-/m0/s1
InChIKeyIPPURWIAVHOVPQ-QKKBWIMNSA-N
XLogP5.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.85
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide (CID 46229828) is N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1.
What is the InChIKey of N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is IPPURWIAVHOVPQ-QKKBWIMNSA-N. The full InChI is InChI=1S/C21H23Cl3N2O2S/c22-15-2-5-17(6-3-15)26-13-14(12-25-29(27,28)18-7-8-18)1-10-21(26)19-9-4-16(23)11-20(19)24/h2-6,9,11,14,18,21,25H,1,7-8,10,12-13H2/t14-,21-/m0/s1.
What are the key properties of N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 473.85 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 46229828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).