N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide

C14H19BrN2O2S — CID 120707691

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C14H19BrN2O2S/c1-9-6-10(15)2-5-14(9)20(18,19)17-13-7-11-3-4-12(8-13)16-11/h2,5-6,11-13,16-17H,3-4,7-8H2,1H3
InChIKeyZGOAGCOGBICZMQ-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.32
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide (PubChem CID 120707691) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide
PubChem CID120707691
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C14H19BrN2O2S/c1-9-6-10(15)2-5-14(9)20(18,19)17-13-7-11-3-4-12(8-13)16-11/h2,5-6,11-13,16-17H,3-4,7-8H2,1H3
InChIKeyZGOAGCOGBICZMQ-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dibromobenzenesulfonamide
CID 61233306
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119967769
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
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728
N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide
CID 119967726
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-4-nitrobenzenesulfonamide
CID 119967656
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119967957

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide (CID 120707691) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide is Cc1cc(Br)ccc1S(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide?
The InChIKey is ZGOAGCOGBICZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-9-6-10(15)2-5-14(9)20(18,19)17-13-7-11-3-4-12(8-13)16-11/h2,5-6,11-13,16-17H,3-4,7-8H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide has a molecular weight of 359.29 g/mol, XLogP of 2.32, 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-bromo-2-methylbenzenesulfonamide is sourced from PubChem (CID 120707691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).