N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride

C19H24ClN3O4S — CID 46823312

IUPACN-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-15-7-8-18(13-19(15)22(23)24)27(25,26)20-17-9-11-21(12-10-17)14-16-5-3-2-4-6-16;/h2-8,13,17,20H,9-12,14H2,1H3;1H
InChIKeyLZACXQJUBASYDT-UHFFFAOYSA-N
MW425.94 g/mol
LogP3.27
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride

N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride (PubChem CID 46823312) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
PubChem CID46823312
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-15-7-8-18(13-19(15)22(23)24)27(25,26)20-17-9-11-21(12-10-17)14-16-5-3-2-4-6-16;/h2-8,13,17,20H,9-12,14H2,1H3;1H
InChIKeyLZACXQJUBASYDT-UHFFFAOYSA-N
XLogP3.27
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-benzylpiperidin-4-yl)-4-methyl-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-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-(1-benzylpiperidin-3-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 55682147
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
4-(4-benzylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 9187044
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide
CID 50760062

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride (CID 46823312) is N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is LZACXQJUBASYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-15-7-8-18(13-19(15)22(23)24)27(25,26)20-17-9-11-21(12-10-17)14-16-5-3-2-4-6-16;/h2-8,13,17,20H,9-12,14H2,1H3;1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride?
N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 46823312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).