1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine

C19H28Cl2N2O2S — CID 142200902

IUPAC1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine
SMILESCc1c(Cl)cc(S(=O)(=O)N2CCC(CCC3CCNCC3)CC2)cc1Cl
InChIInChI=1S/C19H28Cl2N2O2S/c1-14-18(20)12-17(13-19(14)21)26(24,25)23-10-6-16(7-11-23)3-2-15-4-8-22-9-5-15/h12-13,15-16,22H,2-11H2,1H3
InChIKeyBTMUVYXLVQCBMN-UHFFFAOYSA-N
MW419.42 g/mol
LogP4.48
Rot. Bonds5

About 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine

1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine (PubChem CID 142200902) has the molecular formula C19H28Cl2N2O2S and a molecular weight of 419.42 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine
PubChem CID142200902
Molecular FormulaC19H28Cl2N2O2S
Molecular Weight419.42 g/mol
Exact Mass418.12
IUPAC Name1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine
SMILESCc1c(Cl)cc(S(=O)(=O)N2CCC(CCC3CCNCC3)CC2)cc1Cl
InChIInChI=1S/C19H28Cl2N2O2S/c1-14-18(20)12-17(13-19(14)21)26(24,25)23-10-6-16(7-11-23)3-2-15-4-8-22-9-5-15/h12-13,15-16,22H,2-11H2,1H3
InChIKeyBTMUVYXLVQCBMN-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine?
The IUPAC name of 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine (CID 142200902) is 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine.
What is the SMILES notation for 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine?
The canonical SMILES for 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine is Cc1c(Cl)cc(S(=O)(=O)N2CCC(CCC3CCNCC3)CC2)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine?
The InChIKey is BTMUVYXLVQCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N2O2S/c1-14-18(20)12-17(13-19(14)21)26(24,25)23-10-6-16(7-11-23)3-2-15-4-8-22-9-5-15/h12-13,15-16,22H,2-11H2,1H3.
What are the key properties of 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine?
1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine has a molecular weight of 419.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine is sourced from PubChem (CID 142200902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).