3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride

C14H20ClN3O3S — CID 119967652

IUPAC3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(S(=O)(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C14H19N3O3S.ClH/c15-14(18)9-2-1-3-13(6-9)21(19,20)17-12-7-10-4-5-11(8-12)16-10;/h1-3,6,10-12,16-17H,4-5,7-8H2,(H2,15,18);1H
InChIKeyGXRFGHDQZPXGEE-UHFFFAOYSA-N
MW345.85 g/mol
LogP0.77
Rot. Bonds4

About 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride

3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119967652) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119967652
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(S(=O)(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C14H19N3O3S.ClH/c15-14(18)9-2-1-3-13(6-9)21(19,20)17-12-7-10-4-5-11(8-12)16-10;/h1-3,6,10-12,16-17H,4-5,7-8H2,(H2,15,18);1H
InChIKeyGXRFGHDQZPXGEE-UHFFFAOYSA-N
XLogP0.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119458558
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide
CID 112845274
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
3-[(3-methylcyclobutyl)sulfamoyl]benzenecarbothioamide
CID 113467242
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215
3-(cyclopentylsulfamoyl)benzenecarbothioamide
CID 24690582
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681

Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride (CID 119967652) is 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride is Cl.NC(=O)c1cccc(S(=O)(=O)NC2CC3CCC(C2)N3)c1.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is GXRFGHDQZPXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S.ClH/c15-14(18)9-2-1-3-13(6-9)21(19,20)17-12-7-10-4-5-11(8-12)16-10;/h1-3,6,10-12,16-17H,4-5,7-8H2,(H2,15,18);1H.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride?
3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119967652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).