methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride

C16H23ClN2O4S — CID 119968215

IUPACmethyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1C.Cl
InChIInChI=1S/C16H22N2O4S.ClH/c1-10-7-14(5-6-15(10)16(19)22-2)23(20,21)18-13-8-11-3-4-12(9-13)17-11;/h5-7,11-13,17-18H,3-4,8-9H2,1-2H3;1H
InChIKeyJIOSEKQPRGMRAU-UHFFFAOYSA-N
MW374.89 g/mol
LogP1.76
Rot. Bonds4

About methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride

methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride (PubChem CID 119968215) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
PubChem CID119968215
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Namemethyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1C.Cl
InChIInChI=1S/C16H22N2O4S.ClH/c1-10-7-14(5-6-15(10)16(19)22-2)23(20,21)18-13-8-11-3-4-12(9-13)17-11;/h5-7,11-13,17-18H,3-4,8-9H2,1-2H3;1H
InChIKeyJIOSEKQPRGMRAU-UHFFFAOYSA-N
XLogP1.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride with MolForge

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Related Compounds

methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate
CID 119968151
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119967835
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 119455312
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride
CID 119967652
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119966118

Frequently Asked Questions

What is the IUPAC name of methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride?
The IUPAC name of methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride (CID 119968215) is methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride.
What is the SMILES notation for methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride?
The canonical SMILES for methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1C.Cl.
What is the InChIKey of methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride?
The InChIKey is JIOSEKQPRGMRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S.ClH/c1-10-7-14(5-6-15(10)16(19)22-2)23(20,21)18-13-8-11-3-4-12(9-13)17-11;/h5-7,11-13,17-18H,3-4,8-9H2,1-2H3;1H.
What are the key properties of methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride?
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride has a molecular weight of 374.89 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride is sourced from PubChem (CID 119968215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).