methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride

C16H23ClN2O5S — CID 120707728

IUPACmethyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)c(OC)c1.Cl
InChIInChI=1S/C16H22N2O5S.ClH/c1-22-14-7-10(16(19)23-2)3-6-15(14)24(20,21)18-13-8-11-4-5-12(9-13)17-11;/h3,6-7,11-13,17-18H,4-5,8-9H2,1-2H3;1H
InChIKeyYGQVPUUALGEKOZ-UHFFFAOYSA-N
MW390.89 g/mol
LogP1.46
Rot. Bonds5

About methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride

methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride (PubChem CID 120707728) has the molecular formula C16H23ClN2O5S and a molecular weight of 390.89 g/mol. Its IUPAC name is methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
PubChem CID120707728
Molecular FormulaC16H23ClN2O5S
Molecular Weight390.89 g/mol
Exact Mass390.10
IUPAC Namemethyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)c(OC)c1.Cl
InChIInChI=1S/C16H22N2O5S.ClH/c1-22-14-7-10(16(19)23-2)3-6-15(14)24(20,21)18-13-8-11-4-5-12(9-13)17-11;/h3,6-7,11-13,17-18H,4-5,8-9H2,1-2H3;1H
InChIKeyYGQVPUUALGEKOZ-UHFFFAOYSA-N
XLogP1.46
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride with MolForge

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Related Compounds

methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119967957
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride
CID 120711512
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
methyl 3-[(3-aminocyclobutyl)sulfamoyl]-4-methylbenzoate
CID 43597879
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate;hydrochloride
CID 170900899

Frequently Asked Questions

What is the IUPAC name of methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride?
The IUPAC name of methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride (CID 120707728) is methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride.
What is the SMILES notation for methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride?
The canonical SMILES for methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)c(OC)c1.Cl.
What is the InChIKey of methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride?
The InChIKey is YGQVPUUALGEKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S.ClH/c1-22-14-7-10(16(19)23-2)3-6-15(14)24(20,21)18-13-8-11-4-5-12(9-13)17-11;/h3,6-7,11-13,17-18H,4-5,8-9H2,1-2H3;1H.
What are the key properties of methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride?
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride has a molecular weight of 390.89 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride is sourced from PubChem (CID 120707728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).