N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride

C16H28Cl2N4O3S — CID 119994662

IUPACN,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCCCN2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C16H26N4O3S.2ClH/c1-19(2)16(21)14-5-3-6-15(13-14)24(22,23)18-7-4-10-20-11-8-17-9-12-20;;/h3,5-6,13,17-18H,4,7-12H2,1-2H3;2*1H
InChIKeySEKVAQIOULVLOG-UHFFFAOYSA-N
MW427.40 g/mol
LogP0.81
Rot. Bonds7

About N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride

N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride (PubChem CID 119994662) has the molecular formula C16H28Cl2N4O3S and a molecular weight of 427.40 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
PubChem CID119994662
Molecular FormulaC16H28Cl2N4O3S
Molecular Weight427.40 g/mol
Exact Mass426.13
IUPAC NameN,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCCCN2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C16H26N4O3S.2ClH/c1-19(2)16(21)14-5-3-6-15(13-14)24(22,23)18-7-4-10-20-11-8-17-9-12-20;;/h3,5-6,13,17-18H,4,7-12H2,1-2H3;2*1H
InChIKeySEKVAQIOULVLOG-UHFFFAOYSA-N
XLogP0.81
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3-piperazin-1-ylpropylsulfamoyl)benzoate
CID 119994766
3-cyano-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994501
2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
CID 119994834
3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999788
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride?
The IUPAC name of N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride (CID 119994662) is N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride?
The canonical SMILES for N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride is CN(C)C(=O)c1cccc(S(=O)(=O)NCCCN2CCNCC2)c1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride?
The InChIKey is SEKVAQIOULVLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.2ClH/c1-19(2)16(21)14-5-3-6-15(13-14)24(22,23)18-7-4-10-20-11-8-17-9-12-20;;/h3,5-6,13,17-18H,4,7-12H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride?
N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride has a molecular weight of 427.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride is sourced from PubChem (CID 119994662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).