N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide

C13H17ClN2O2S — CID 61232934

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2S/c14-9-1-5-13(6-2-9)19(17,18)16-12-7-10-3-4-11(8-12)15-10/h1-2,5-6,10-12,15-16H,3-4,7-8H2
InChIKeySWWGPIHLXZMTHS-UHFFFAOYSA-N
MW300.81 g/mol
LogP1.90
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide (PubChem CID 61232934) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
PubChem CID61232934
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2S/c14-9-1-5-13(6-2-9)19(17,18)16-12-7-10-3-4-11(8-12)15-10/h1-2,5-6,10-12,15-16H,3-4,7-8H2
InChIKeySWWGPIHLXZMTHS-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
4-chloro-N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
CID 11859488
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide
CID 119968036
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide
CID 119967921
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-4-nitrobenzenesulfonamide
CID 119967656
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119967835
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-3-chlorobenzenesulfonamide
CID 120707749
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119967986
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide (CID 61232934) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide is O=S(=O)(NC1CC2CCC(C1)N2)c1ccc(Cl)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide?
The InChIKey is SWWGPIHLXZMTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-9-1-5-13(6-2-9)19(17,18)16-12-7-10-3-4-11(8-12)15-10/h1-2,5-6,10-12,15-16H,3-4,7-8H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide has a molecular weight of 300.81 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 61232934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).