3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride

C20H26ClN3O2S — CID 68707827

IUPAC3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride
SMILESCl.O=S1(=O)N(CCCC2CCNCC2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C20H25N3O2S.ClH/c24-26(25)22(16-6-7-17-12-14-21-15-13-17)19-10-4-5-11-20(19)23(26)18-8-2-1-3-9-18;/h1-5,8-11,17,21H,6-7,12-16H2;1H
InChIKeyFBADGZIXSMTXGL-UHFFFAOYSA-N
MW407.97 g/mol
LogP4.09
Rot. Bonds5

About 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride

3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride (PubChem CID 68707827) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride.

Molecular Properties

Compound Name3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride
PubChem CID68707827
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC Name3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride
SMILESCl.O=S1(=O)N(CCCC2CCNCC2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C20H25N3O2S.ClH/c24-26(25)22(16-6-7-17-12-14-21-15-13-17)19-10-4-5-11-20(19)23(26)18-8-2-1-3-9-18;/h1-5,8-11,17,21H,6-7,12-16H2;1H
InChIKeyFBADGZIXSMTXGL-UHFFFAOYSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride with MolForge

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Related Compounds

3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 24937509
4-(2,2-dioxo-3-phenyl-2λ6,1,3-benzothiadiazol-1-yl)butan-1-amine;ethane
CID 143693852
N-[2-(2,2-dihydroxy-3-phenyl-2λ4,1,3-benzothiadiazol-1-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 69250571
2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
CID 62211993
1-amino-4-(2,2-dioxo-3-phenyl-2λ6,1,3-benzothiadiazol-1-yl)butan-2-ol
CID 143693828
3-(3-methoxyphenyl)-1-[2-[(2S)-oxiran-2-yl]ethyl]-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 46831084
N-[3-[3-(2-fluorophenyl)-2,2-dihydroxy-2λ4,1,3-benzothiadiazol-1-yl]propyl]piperidin-4-amine;dihydrochloride
CID 69251992
1-phenyl-5-(2-piperidin-4-ylethyl)imidazolidin-2-one
CID 70068320
2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
CID 20717835
3-[2,2-dioxo-3-[3-(trifluoromethoxy)phenyl]-2λ6,1,3-benzothiadiazol-1-yl]-N-methylpropan-1-amine
CID 59757069
N-(2-piperidin-4-ylethyl)aniline
CID 4778278
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride?
The IUPAC name of 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride (CID 68707827) is 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride.
What is the SMILES notation for 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride?
The canonical SMILES for 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride is Cl.O=S1(=O)N(CCCC2CCNCC2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride?
The InChIKey is FBADGZIXSMTXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S.ClH/c24-26(25)22(16-6-7-17-12-14-21-15-13-17)19-10-4-5-11-20(19)23(26)18-8-2-1-3-9-18;/h1-5,8-11,17,21H,6-7,12-16H2;1H.
What are the key properties of 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride?
3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride has a molecular weight of 407.97 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride is sourced from PubChem (CID 68707827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).