4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide

C14H19ClN2O2S — CID 2802668

IUPAC4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
SMILESCN1C2CCC1CC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C14H19ClN2O2S/c1-17-12-4-5-13(17)9-11(8-12)16-20(18,19)14-6-2-10(15)3-7-14/h2-3,6-7,11-13,16H,4-5,8-9H2,1H3
InChIKeyXHRMLNQFHNAKTQ-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.24
Rot. Bonds3

About 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide

4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide (PubChem CID 2802668) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
PubChem CID2802668
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
SMILESCN1C2CCC1CC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C14H19ClN2O2S/c1-17-12-4-5-13(17)9-11(8-12)16-20(18,19)14-6-2-10(15)3-7-14/h2-3,6-7,11-13,16H,4-5,8-9H2,1H3
InChIKeyXHRMLNQFHNAKTQ-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide (CID 2802668) is 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide is CN1C2CCC1CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide?
The InChIKey is XHRMLNQFHNAKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-17-12-4-5-13(17)9-11(8-12)16-20(18,19)14-6-2-10(15)3-7-14/h2-3,6-7,11-13,16H,4-5,8-9H2,1H3.
What are the key properties of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide?
4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide has a molecular weight of 314.84 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide is sourced from PubChem (CID 2802668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).