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

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

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119967957
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-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119968134
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide
CID 120707691
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215
N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide
CID 122150384
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dibromobenzenesulfonamide
CID 61233306
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide
CID 120707764
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934

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).