2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride

C15H26Cl2N4O3S — CID 119994544

IUPAC2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
SMILESCc1ccc(S(=O)(=O)NCCCN2CCNCC2)cc1C(N)=O.Cl.Cl
InChIInChI=1S/C15H24N4O3S.2ClH/c1-12-3-4-13(11-14(12)15(16)20)23(21,22)18-5-2-8-19-9-6-17-7-10-19;;/h3-4,11,17-18H,2,5-10H2,1H3,(H2,16,20);2*1H
InChIKeyKOUKNBABXFDHTI-UHFFFAOYSA-N
MW413.37 g/mol
LogP0.51
Rot. Bonds7

About 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride

2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride (PubChem CID 119994544) has the molecular formula C15H26Cl2N4O3S and a molecular weight of 413.37 g/mol. Its IUPAC name is 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
PubChem CID119994544
Molecular FormulaC15H26Cl2N4O3S
Molecular Weight413.37 g/mol
Exact Mass412.11
IUPAC Name2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
SMILESCc1ccc(S(=O)(=O)NCCCN2CCNCC2)cc1C(N)=O.Cl.Cl
InChIInChI=1S/C15H24N4O3S.2ClH/c1-12-3-4-13(11-14(12)15(16)20)23(21,22)18-5-2-8-19-9-6-17-7-10-19;;/h3-4,11,17-18H,2,5-10H2,1H3,(H2,16,20);2*1H
InChIKeyKOUKNBABXFDHTI-UHFFFAOYSA-N
XLogP0.51
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
CID 46457679
4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
CID 119994834
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
CID 43606850
N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994662
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)benzoate
CID 119994766
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride?
The IUPAC name of 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride (CID 119994544) is 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride.
What is the SMILES notation for 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride?
The canonical SMILES for 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride is Cc1ccc(S(=O)(=O)NCCCN2CCNCC2)cc1C(N)=O.Cl.Cl.
What is the InChIKey of 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride?
The InChIKey is KOUKNBABXFDHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S.2ClH/c1-12-3-4-13(11-14(12)15(16)20)23(21,22)18-5-2-8-19-9-6-17-7-10-19;;/h3-4,11,17-18H,2,5-10H2,1H3,(H2,16,20);2*1H.
What are the key properties of 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride?
2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride has a molecular weight of 413.37 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride is sourced from PubChem (CID 119994544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).