5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide

C15H21N3O4S — CID 119967645

IUPAC5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1C(N)=O
InChIInChI=1S/C15H21N3O4S/c1-22-14-5-4-12(8-13(14)15(16)19)23(20,21)18-11-6-9-2-3-10(7-11)17-9/h4-5,8-11,17-18H,2-3,6-7H2,1H3,(H2,16,19)
InChIKeyGXRDMKLHZOVIOY-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.36
Rot. Bonds5

About 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide

5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide (PubChem CID 119967645) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
PubChem CID119967645
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1C(N)=O
InChIInChI=1S/C15H21N3O4S/c1-22-14-5-4-12(8-13(14)15(16)19)23(20,21)18-11-6-9-2-3-10(7-11)17-9/h4-5,8-11,17-18H,2-3,6-7H2,1H3,(H2,16,19)
InChIKeyGXRDMKLHZOVIOY-UHFFFAOYSA-N
XLogP0.36
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858
5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide
CID 146024517
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride
CID 119967652
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728

Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide (CID 119967645) is 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1C(N)=O.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide?
The InChIKey is GXRDMKLHZOVIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-22-14-5-4-12(8-13(14)15(16)19)23(20,21)18-11-6-9-2-3-10(7-11)17-9/h4-5,8-11,17-18H,2-3,6-7H2,1H3,(H2,16,19).
What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide?
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide has a molecular weight of 339.42 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 119967645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).