N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride

C14H19ClF2N2O2S — CID 119967769

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CC3CCC(C2)N3)c(F)cc1F.Cl
InChIInChI=1S/C14H18F2N2O2S.ClH/c1-8-4-14(13(16)7-12(8)15)21(19,20)18-11-5-9-2-3-10(6-11)17-9;/h4,7,9-11,17-18H,2-3,5-6H2,1H3;1H
InChIKeyVCGPTMNARPLCFW-UHFFFAOYSA-N
MW352.83 g/mol
LogP2.26
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride (PubChem CID 119967769) has the molecular formula C14H19ClF2N2O2S and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
PubChem CID119967769
Molecular FormulaC14H19ClF2N2O2S
Molecular Weight352.83 g/mol
Exact Mass352.08
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CC3CCC(C2)N3)c(F)cc1F.Cl
InChIInChI=1S/C14H18F2N2O2S.ClH/c1-8-4-14(13(16)7-12(8)15)21(19,20)18-11-5-9-2-3-10(6-11)17-9;/h4,7,9-11,17-18H,2-3,5-6H2,1H3;1H
InChIKeyVCGPTMNARPLCFW-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride (CID 119967769) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NC2CC3CCC(C2)N3)c(F)cc1F.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride?
The InChIKey is VCGPTMNARPLCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S.ClH/c1-8-4-14(13(16)7-12(8)15)21(19,20)18-11-5-9-2-3-10(6-11)17-9;/h4,7,9-11,17-18H,2-3,5-6H2,1H3;1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 2.26, 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)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119967769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).