N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride

C15H24ClN3O5S — CID 119405950

IUPACN-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN.Cl
InChIInChI=1S/C15H23N3O5S.ClH/c1-22-14-4-3-12(11-13(14)15(19)17-6-2-5-16)24(20,21)18-7-9-23-10-8-18;/h3-4,11H,2,5-10,16H2,1H3,(H,17,19);1H
InChIKeyLCYGYJWRXIROJF-UHFFFAOYSA-N
MW393.89 g/mol
LogP0.22
Rot. Bonds7

About N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride

N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride (PubChem CID 119405950) has the molecular formula C15H24ClN3O5S and a molecular weight of 393.89 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
PubChem CID119405950
Molecular FormulaC15H24ClN3O5S
Molecular Weight393.89 g/mol
Exact Mass393.11
IUPAC NameN-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN.Cl
InChIInChI=1S/C15H23N3O5S.ClH/c1-22-14-4-3-12(11-13(14)15(19)17-6-2-5-16)24(20,21)18-7-9-23-10-8-18;/h3-4,11H,2,5-10,16H2,1H3,(H,17,19);1H
InChIKeyLCYGYJWRXIROJF-UHFFFAOYSA-N
XLogP0.22
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119404990
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55586581
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119430958
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119430959
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407925

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride (CID 119405950) is N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The InChIKey is LCYGYJWRXIROJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S.ClH/c1-22-14-4-3-12(11-13(14)15(19)17-6-2-5-16)24(20,21)18-7-9-23-10-8-18;/h3-4,11H,2,5-10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride?
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride has a molecular weight of 393.89 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119405950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).