N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

C17H26ClN3O3S — CID 119458558

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-11(2)20-24(22,23)16-5-3-4-12(8-16)17(21)19-15-9-13-6-7-14(10-15)18-13;/h3-5,8,11,13-15,18,20H,6-7,9-10H2,1-2H3,(H,19,21);1H
InChIKeyQXLKMIMSBGZRTD-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.81
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119458558) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119458558
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-11(2)20-24(22,23)16-5-3-4-12(8-16)17(21)19-15-9-13-6-7-14(10-15)18-13;/h3-5,8,11,13-15,18,20H,6-7,9-10H2,1-2H3,(H,19,21);1H
InChIKeyQXLKMIMSBGZRTD-UHFFFAOYSA-N
XLogP1.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride
CID 119967652
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 126786285
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119458614
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119457637
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (CID 119458558) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is CC(C)NS(=O)(=O)c1cccc(C(=O)NC2CC3CCC(C2)N3)c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is QXLKMIMSBGZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-11(2)20-24(22,23)16-5-3-4-12(8-16)17(21)19-15-9-13-6-7-14(10-15)18-13;/h3-5,8,11,13-15,18,20H,6-7,9-10H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119458558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).