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

C20H26ClN3O3S — CID 119446967

IUPAC3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1cccc(S(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H25N3O3S.ClH/c24-20(22-11-14-23-12-9-21-10-13-23)18-7-4-8-19(15-18)27(25,26)16-17-5-2-1-3-6-17;/h1-8,15,21H,9-14,16H2,(H,22,24);1H
InChIKeyVXCASAMLZSUFNV-UHFFFAOYSA-N
MW423.97 g/mol
LogP1.72
Rot. Bonds7

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

3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119446967) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119446967
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1cccc(S(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H25N3O3S.ClH/c24-20(22-11-14-23-12-9-21-10-13-23)18-7-4-8-19(15-18)27(25,26)16-17-5-2-1-3-6-17;/h1-8,15,21H,9-14,16H2,(H,22,24);1H
InChIKeyVXCASAMLZSUFNV-UHFFFAOYSA-N
XLogP1.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride 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

N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
(3-benzylsulfonylphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119416326
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
CID 119446970
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
[3-(benzenesulfonylmethyl)phenyl]-piperazin-1-ylmethanone
CID 119403801
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 138647753
3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559372
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119446967) is 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1cccc(S(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is VXCASAMLZSUFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c24-20(22-11-14-23-12-9-21-10-13-23)18-7-4-8-19(15-18)27(25,26)16-17-5-2-1-3-6-17;/h1-8,15,21H,9-14,16H2,(H,22,24);1H.
What are the key properties of 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119446967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).