2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride

C15H22ClF3N4O3S — CID 120813828

IUPAC2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N4O3S.ClH/c1-26(24,25)21-12-5-3-2-4-11(12)14(23)20-10-13(15(16,17)18)22-8-6-19-7-9-22;/h2-5,13,19,21H,6-10H2,1H3,(H,20,23);1H
InChIKeyIZQZNOMQWHEGHO-UHFFFAOYSA-N
MW430.88 g/mol
LogP1.05
Rot. Bonds6

About 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride

2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 120813828) has the molecular formula C15H22ClF3N4O3S and a molecular weight of 430.88 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID120813828
Molecular FormulaC15H22ClF3N4O3S
Molecular Weight430.88 g/mol
Exact Mass430.11
IUPAC Name2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N4O3S.ClH/c1-26(24,25)21-12-5-3-2-4-11(12)14(23)20-10-13(15(16,17)18)22-8-6-19-7-9-22;/h2-5,13,19,21H,6-10H2,1H3,(H,20,23);1H
InChIKeyIZQZNOMQWHEGHO-UHFFFAOYSA-N
XLogP1.05
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)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

2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813829
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339
2-propan-2-ylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813410
2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811350
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811888
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
5-methyl-1-(2-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;hydrochloride
CID 120811554
5-bromo-2-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813796
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813289

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 120813828) is 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride is CS(=O)(=O)Nc1ccccc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is IZQZNOMQWHEGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3S.ClH/c1-26(24,25)21-12-5-3-2-4-11(12)14(23)20-10-13(15(16,17)18)22-8-6-19-7-9-22;/h2-5,13,19,21H,6-10H2,1H3,(H,20,23);1H.
What are the key properties of 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 430.88 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 120813828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).