4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

C15H24ClN3O5S — CID 119994139

IUPAC4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1.Cl
InChIInChI=1S/C15H23N3O5S.ClH/c1-3-10-17(12-6-8-16-9-7-12)24(21,22)13-4-5-15(23-2)14(11-13)18(19)20;/h4-5,11-12,16H,3,6-10H2,1-2H3;1H
InChIKeyFORUNYTYBBOZKV-UHFFFAOYSA-N
MW393.89 g/mol
LogP2.18
Rot. Bonds7

About 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (PubChem CID 119994139) has the molecular formula C15H24ClN3O5S and a molecular weight of 393.89 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
PubChem CID119994139
Molecular FormulaC15H24ClN3O5S
Molecular Weight393.89 g/mol
Exact Mass393.11
IUPAC Name4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1.Cl
InChIInChI=1S/C15H23N3O5S.ClH/c1-3-10-17(12-6-8-16-9-7-12)24(21,22)13-4-5-15(23-2)14(11-13)18(19)20;/h4-5,11-12,16H,3,6-10H2,1-2H3;1H
InChIKeyFORUNYTYBBOZKV-UHFFFAOYSA-N
XLogP2.18
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 52.18
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'}

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Related Compounds

N-cyclopropyl-N-ethyl-4-methoxy-3-nitrobenzenesulfonamide
CID 24679110
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994172
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120875580
3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709
N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912831
2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide
CID 119976329
2,3-dimethyl-6-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994131
2-methyl-6-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994087
2-methyl-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993938
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
7-nitro-N-piperidin-4-yl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 119993806

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (CID 119994139) is 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1.Cl.
What is the InChIKey of 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The InChIKey is FORUNYTYBBOZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S.ClH/c1-3-10-17(12-6-8-16-9-7-12)24(21,22)13-4-5-15(23-2)14(11-13)18(19)20;/h4-5,11-12,16H,3,6-10H2,1-2H3;1H.
What are the key properties of 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride has a molecular weight of 393.89 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119994139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).