N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride

C17H29ClN4O3S — CID 119393786

IUPACN-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-2-13-25(23,24)20-16-6-3-5-15(14-16)17(22)19-7-4-10-21-11-8-18-9-12-21;/h3,5-6,14,18,20H,2,4,7-13H2,1H3,(H,19,22);1H
InChIKeyWFNOSHQUFMWDNV-UHFFFAOYSA-N
MW404.96 g/mol
LogP1.29
Rot. Bonds9

About N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride

N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride (PubChem CID 119393786) has the molecular formula C17H29ClN4O3S and a molecular weight of 404.96 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
PubChem CID119393786
Molecular FormulaC17H29ClN4O3S
Molecular Weight404.96 g/mol
Exact Mass404.16
IUPAC NameN-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-2-13-25(23,24)20-16-6-3-5-15(14-16)17(22)19-7-4-10-21-11-8-18-9-12-21;/h3,5-6,14,18,20H,2,4,7-13H2,1H3,(H,19,22);1H
InChIKeyWFNOSHQUFMWDNV-UHFFFAOYSA-N
XLogP1.29
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392890
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392891
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393878
3-(3-chloropropylsulfonylamino)-N-propylbenzamide
CID 60959205
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride (CID 119393786) is N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride is CCCS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCNCC2)c1.Cl.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride?
The InChIKey is WFNOSHQUFMWDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.ClH/c1-2-13-25(23,24)20-16-6-3-5-15(14-16)17(22)19-7-4-10-21-11-8-18-9-12-21;/h3,5-6,14,18,20H,2,4,7-13H2,1H3,(H,19,22);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119393786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).