N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

C16H27ClN4O3S — CID 119448229

IUPACN-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-13(2)19-24(22,23)15-5-3-4-14(12-15)16(21)18-8-11-20-9-6-17-7-10-20;/h3-5,12-13,17,19H,6-11H2,1-2H3,(H,18,21);1H
InChIKeyIJDDWGKFOMQABZ-UHFFFAOYSA-N
MW390.94 g/mol
LogP0.43
Rot. Bonds7

About N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119448229) has the molecular formula C16H27ClN4O3S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119448229
Molecular FormulaC16H27ClN4O3S
Molecular Weight390.94 g/mol
Exact Mass390.15
IUPAC NameN-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-13(2)19-24(22,23)15-5-3-4-14(12-15)16(21)18-8-11-20-9-6-17-7-10-20;/h3-5,12-13,17,19H,6-11H2,1-2H3,(H,18,21);1H
InChIKeyIJDDWGKFOMQABZ-UHFFFAOYSA-N
XLogP0.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446967
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994662
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (CID 119448229) is N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is CC(C)NS(=O)(=O)c1cccc(C(=O)NCCN2CCNCC2)c1.Cl.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is IJDDWGKFOMQABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.ClH/c1-13(2)19-24(22,23)15-5-3-4-14(12-15)16(21)18-8-11-20-9-6-17-7-10-20;/h3-5,12-13,17,19H,6-11H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 390.94 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119448229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).