2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride

C16H26ClN3O4S — CID 3075858

IUPAC2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCCCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-23-15-7-6-13(24(17,21)22)12-14(15)16(20)18-8-5-11-19-9-3-2-4-10-19;/h6-7,12H,2-5,8-11H2,1H3,(H,18,20)(H2,17,21,22);1H
InChIKeyMUICQBKJQJHRKL-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.37
Rot. Bonds7

About 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride

2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride (PubChem CID 3075858) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride
PubChem CID3075858
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCCCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-23-15-7-6-13(24(17,21)22)12-14(15)16(20)18-8-5-11-19-9-3-2-4-10-19;/h6-7,12H,2-5,8-11H2,1H3,(H,18,20)(H2,17,21,22);1H
InChIKeyMUICQBKJQJHRKL-UHFFFAOYSA-N
XLogP1.37
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride?
The IUPAC name of 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride (CID 3075858) is 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride is COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCCCC1.Cl.
What is the InChIKey of 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride?
The InChIKey is MUICQBKJQJHRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-23-15-7-6-13(24(17,21)22)12-14(15)16(20)18-8-5-11-19-9-3-2-4-10-19;/h6-7,12H,2-5,8-11H2,1H3,(H,18,20)(H2,17,21,22);1H.
What are the key properties of 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride?
2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide;hydrochloride is sourced from PubChem (CID 3075858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).