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

C14H17F3N2O2S — CID 120712698

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O2S/c1-19(10-6-8-2-3-9(7-10)18-8)22(20,21)12-5-4-11(15)13(16)14(12)17/h4-5,8-10,18H,2-3,6-7H2,1H3
InChIKeyYWWDNRNOCINIEV-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.01
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide (PubChem CID 120712698) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
PubChem CID120712698
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O2S/c1-19(10-6-8-2-3-9(7-10)18-8)22(20,21)12-5-4-11(15)13(16)14(12)17/h4-5,8-10,18H,2-3,6-7H2,1H3
InChIKeyYWWDNRNOCINIEV-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120894149
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
CID 61231449
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide
CID 61232982
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide
CID 79989370
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
CID 106272763
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61231261
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230663
N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 115319073
3-(chloromethyl)-2,4-difluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745508

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide (CID 120712698) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide is CN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide?
The InChIKey is YWWDNRNOCINIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-19(10-6-8-2-3-9(7-10)18-8)22(20,21)12-5-4-11(15)13(16)14(12)17/h4-5,8-10,18H,2-3,6-7H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide has a molecular weight of 334.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 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)-2,3,4-trifluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 120712698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).