N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride

C15H23ClN4O5S — CID 119561319

IUPACN-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride
SMILESCNC1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1.Cl
InChIInChI=1S/C15H22N4O5S.ClH/c1-16-12-6-8-18(9-7-12)15(20)11-17(2)25(23,24)14-5-3-4-13(10-14)19(21)22;/h3-5,10,12,16H,6-9,11H2,1-2H3;1H
InChIKeyQNDJXTKGTSZEOB-UHFFFAOYSA-N
MW406.89 g/mol
LogP0.85
Rot. Bonds6

About N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride

N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride (PubChem CID 119561319) has the molecular formula C15H23ClN4O5S and a molecular weight of 406.89 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride
PubChem CID119561319
Molecular FormulaC15H23ClN4O5S
Molecular Weight406.89 g/mol
Exact Mass406.11
IUPAC NameN-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride
SMILESCNC1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1.Cl
InChIInChI=1S/C15H22N4O5S.ClH/c1-16-12-6-8-18(9-7-12)15(20)11-17(2)25(23,24)14-5-3-4-13(10-14)19(21)22;/h3-5,10,12,16H,6-9,11H2,1-2H3;1H
InChIKeyQNDJXTKGTSZEOB-UHFFFAOYSA-N
XLogP0.85
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;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-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 119561320
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 119489842
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-N-methyl-3-nitrobenzenesulfonamide
CID 119378879
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methyl-3-nitrobenzenesulfonamide
CID 112788650
N-methyl-N-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 119471305
[4-(methylamino)piperidin-1-yl]-[1-(3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119561779
1-[4-(methylamino)piperidin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 119562587
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511611
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
2-(2-bromo-4-nitrophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119561369
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119560534
N,3,4-trimethyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide;hydrochloride
CID 119491114

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride (CID 119561319) is N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride is CNC1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1.Cl.
What is the InChIKey of N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is QNDJXTKGTSZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S.ClH/c1-16-12-6-8-18(9-7-12)15(20)11-17(2)25(23,24)14-5-3-4-13(10-14)19(21)22;/h3-5,10,12,16H,6-9,11H2,1-2H3;1H.
What are the key properties of N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride?
N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 406.89 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119561319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).