2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide

C15H23N3O4S — CID 53499321

IUPAC2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C(N)=O
InChIInChI=1S/C15H23N3O4S/c1-22-14-6-5-12(11-13(14)15(16)19)23(20,21)17-7-4-10-18-8-2-3-9-18/h5-6,11,17H,2-4,7-10H2,1H3,(H2,16,19)
InChIKeyNLJMZFGJIDTWIV-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.56
Rot. Bonds8

About 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide

2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide (PubChem CID 53499321) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
PubChem CID53499321
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C(N)=O
InChIInChI=1S/C15H23N3O4S/c1-22-14-6-5-12(11-13(14)15(16)19)23(20,21)17-7-4-10-18-8-2-3-9-18/h5-6,11,17H,2-4,7-10H2,1H3,(H2,16,19)
InChIKeyNLJMZFGJIDTWIV-UHFFFAOYSA-N
XLogP0.56
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.56
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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Related Compounds

2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
CID 99971694
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide
CID 122294038
2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide
CID 146024591
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61106956
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide?
The IUPAC name of 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide (CID 53499321) is 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide.
What is the SMILES notation for 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide?
The canonical SMILES for 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide is COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide?
The InChIKey is NLJMZFGJIDTWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-14-6-5-12(11-13(14)15(16)19)23(20,21)17-7-4-10-18-8-2-3-9-18/h5-6,11,17H,2-4,7-10H2,1H3,(H2,16,19).
What are the key properties of 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide?
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide has a molecular weight of 341.43 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide is sourced from PubChem (CID 53499321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).