1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride

C16H24Cl3N3O2S — CID 119929370

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C16H23Cl2N3O2S.ClH/c17-15-2-1-14(11-16(15)18)24(22,23)21-9-7-20(8-10-21)12-13-3-5-19-6-4-13;/h1-2,11,13,19H,3-10,12H2;1H
InChIKeyDDDKWNUFEZOLMF-UHFFFAOYSA-N
MW428.81 g/mol
LogP2.72
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride

1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride (PubChem CID 119929370) has the molecular formula C16H24Cl3N3O2S and a molecular weight of 428.81 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
PubChem CID119929370
Molecular FormulaC16H24Cl3N3O2S
Molecular Weight428.81 g/mol
Exact Mass427.07
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C16H23Cl2N3O2S.ClH/c17-15-2-1-14(11-16(15)18)24(22,23)21-9-7-20(8-10-21)12-13-3-5-19-6-4-13;/h1-2,11,13,19H,3-10,12H2;1H
InChIKeyDDDKWNUFEZOLMF-UHFFFAOYSA-N
XLogP2.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.81
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929368
1-(piperidin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119929378
1-(2-nitrophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929358
1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine
CID 142200902
1-ethylsulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119930045
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 33220676
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 62152115
4-(piperidin-4-ylmethyl)piperazine-1-sulfonamide
CID 119929956
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride (CID 119929370) is 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride is Cl.O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride?
The InChIKey is DDDKWNUFEZOLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2S.ClH/c17-15-2-1-14(11-16(15)18)24(22,23)21-9-7-20(8-10-21)12-13-3-5-19-6-4-13;/h1-2,11,13,19H,3-10,12H2;1H.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride?
1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride has a molecular weight of 428.81 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 119929370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).